DINACICLIB

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Synonyms
Status
Molecule Category UNKNOWN
UNII 4V8ECV0NBQ

Structure

InChI Key PIMQWRZWLQKKBJ-SFHVURJKSA-N
Smiles CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCC[C@H]3CCO)nc12
InChI
InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H28N6O2
Molecular Weight 396.5
AlogP 2.28
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 92.63
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 29.0

Bioactivity

Mechanism of Action Action Reference
Cyclin-dependent kinase 1 inhibitor INHIBITOR PubMed
Protein: Cyclin-dependent kinase 1
Description: Cyclin-dependent kinase 1
Organism : Homo sapiens
P06493 ENSG00000170312
Protein: Cyclin-dependent kinase 2
Description: Cyclin-dependent kinase 2
Organism : Homo sapiens
P24941 ENSG00000123374
Protein: Cyclin-dependent kinase 9
Description: Cyclin-dependent kinase 9
Organism : Homo sapiens
P50750 ENSG00000136807
Protein: Cyclin-dependent kinase 5
Description: Cyclin-dependent kinase 5
Organism : Homo sapiens
Q00535 ENSG00000164885
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDC2 subfamily
- 3-72 18 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDK5 subfamily
- 1-45 - - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDK7 subfamily
- 170-170 - - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family CMGC protein kinase CDK9 subfamily
- 4-178 - - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase CDK family
- 1-45 18 - -
Enzyme Kinase Protein Kinase CMGC protein kinase group
- 1-45 18 - -
Enzyme Kinase Protein kinase regulatory subunit
- 1-67 - - -
Enzyme
- 1-45 18 70 -
Epigenetic regulator Reader Bromodomain
- 19000 - - -
Other cytosolic protein
- 4-178 - - -
Unclassified protein
- 170-170 - - -
Assay Description Organism Bioactivity Reference
Induction of apoptosis in human A673 cells assessed as caspase-3 activation after 24 hrs by luminescence assay Homo sapiens 11.0 nM
Cytotoxicity against human RPMI18226 cells after 72 hrs by resazurin/resorufin-based fluorescence assay Homo sapiens 9.0 nM
Cytotoxicity against human SW872 cells after 72 hrs by resazurin/resorufin-based fluorescence assay Homo sapiens 9.5 nM
Cytotoxicity against human MCF7 cells after 72 hrs by resazurin/resorufin-based fluorescence assay Homo sapiens 20.0 nM
Cytotoxicity against human MNNG-HOS cells after 72 hrs by resazurin/resorufin-based fluorescence assay Homo sapiens 5.5 nM
Cytotoxicity against human MDA-MB-436 cells after 72 hrs by resazurin/resorufin-based fluorescence assay Homo sapiens 5.0 nM
Cytotoxicity against human U266 cells after 72 hrs by resazurin/resorufin-based fluorescence assay Homo sapiens 6.0 nM
Cytotoxicity against human NCI-H929 cells after 72 hrs by resazurin/resorufin-based fluorescence assay Homo sapiens 5.0 nM
Cytotoxicity against human MDA-MB-231 cells after 72 hrs by resazurin/resorufin-based fluorescence assay Homo sapiens 5.0 nM
Cytotoxicity against human SK-UT-1 cells after 72 hrs by resazurin/resorufin-based fluorescence assay Homo sapiens 6.0 nM
Cytotoxicity against human T47D cells after 72 hrs by resazurin/resorufin-based fluorescence assay Homo sapiens 10.0 nM
Cytotoxicity against human SK-ES-1 cells after 72 hrs by resazurin/resorufin-based fluorescence assay Homo sapiens 5.0 nM
Cytotoxicity against human A673 cells after 72 hrs by resazurin/resorufin-based fluorescence assay Homo sapiens 5.0 nM
Cytotoxicity against human SK-BR-3 cells after 72 hrs by resazurin/resorufin-based fluorescence assay Homo sapiens 5.0 nM
Inhibition of CDK1/Cyclin B (unknown origin) expressed in baculoviral infected insect Sf9 cells using histone H1 as substrate in presence of [gamma-33P]ATP Homo sapiens 72.0 nM
Inhibition of CDK4/Cyclin D1 (unknown origin) using RPPTLSPIPHIPR peptide as substrate in presence of [gamma-33P]ATP Homo sapiens 127.0 nM
Inhibition of CDK5/p35NCK (unknown origin) using histone H1 as substrate in presence of [gamma-33P]ATP Homo sapiens 45.0 nM
Inhibition of CDK7/Cyclin H/MAT1 (unknown origin) using (YSPTSPS)2KK peptide as substrate in presence of [gamma-33P]ATP Homo sapiens 170.0 nM
Inhibition of CDK9/Cyclin T1 (unknown origin) using (YSPTSPS)2KK peptide as substrate in presence of [gamma-33P]ATP Homo sapiens 178.0 nM
Inhibition of CDK4 (unknown origin) Homo sapiens 127.0 nM
Inhibition of CDK2/Cyclin E (unknown origin) expressed in sf9 cells using histone H1 as substrate in presence of [gamma33P]-ATP Homo sapiens 2.0 nM
Inhibition of CDK1 (unknown origin) Homo sapiens 72.0 nM
Inhibition of CDK5 (unknown origin) using histone H1 as substrate in presence of [gamma33P]-ATP Homo sapiens 45.0 nM
Inhibition of CDK9 (unknown origin) Homo sapiens 178.0 nM
Inhibition of recombinant CDK1/cyclin B (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotinylated histone H1 as substrate after 1 hr by gamma32P-ATP based liquid scintillation counting analysis Homo sapiens 3.0 nM
Inhibition of recombinant CDK2/cyclin A (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotinylated histone H1 as substrate after 1 hr by gamma32P-ATP based liquid scintillation counting analysis Homo sapiens 1.0 nM
Inhibition of recombinant CDK5/p25 (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotinylated histone H1 as substrate after 1 hr by gamma32P-ATP based liquid scintillation counting analysis Homo sapiens 1.0 nM
Inhibition of recombinant CDK9/cyclin T (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotinylated histone H1 as substrate after 1 hr by gamma32P-ATP based liquid scintillation counting analysis Homo sapiens 4.0 nM
Inhibition of recombinant CDK1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotinylated Histone H1 as substrate after 1 hr in presence of 33P-ATP by liquid scintillation counting analysis Homo sapiens 3.0 nM
Inhibition of recombinant CDK2 (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotinylated Histone H1 as substrate after 1 hr in presence of 33P-ATP by liquid scintillation counting analysis Homo sapiens 1.0 nM
Inhibition of recombinant CDK5 (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotinylated Histone H1 as substrate after 1 hr in presence of 33P-ATP by liquid scintillation counting analysis Homo sapiens 1.0 nM
Inhibition of recombinant CDK9 (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotinylated Histone H1 as substrate after 1 hr in presence of 33P-ATP by liquid scintillation counting analysis Homo sapiens 4.0 nM
Inhibition of 17AAG-induced HSF1-mediated HSP72 expression in human U2OS cells preincubated for 1 hr followed by 17AAG addition measured after 18 hrs by ELISA Homo sapiens 7.0 nM
Inhibition of recombinant full-length N-terminal GST-tagged human CDK9 (1 to 372 residues)/full-length His6-tagged human cyclin T1 (1 to 726 residues) expressed in baculovirus expression system using 5'FAM-RRRFRPASPLRGPPK-COOH as substrate after 30 mins by microfluidic assay Homo sapiens 4.0 nM
Cytotoxicity against human U2OS cells assessed as growth inhibition after 96 hrs by SRB assay Homo sapiens 6.0 nM
Inhibition of CDK1 (unknown origin) Homo sapiens 3.0 nM
Inhibition of CDK2 (unknown origin) Homo sapiens 1.0 nM
Inhibition of CDK5 (unknown origin) Homo sapiens 1.0 nM
Inhibition of CDK9 (unknown origin) Homo sapiens 4.0 nM
Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry. Homo sapiens 32.0 nM
Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry. Homo sapiens 21.0 nM
Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry. Homo sapiens 125.0 nM
Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry. Homo sapiens 778.0 nM
Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry. Homo sapiens 90.0 nM
Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry. Homo sapiens 91.0 nM
Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry. Homo sapiens 32.0 nM
Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry. Homo sapiens 411.0 nM
Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry. Homo sapiens 7.0 nM
Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry. Homo sapiens 3.0 nM
Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry. Homo sapiens 714.0 nM
Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry. Homo sapiens 560.0 nM
Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry. Homo sapiens 271.0 nM
Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry. Homo sapiens 497.0 nM
Kinobeads (epsilon), multiple immobilized ATP-competitive broad spectrum kinase inhibitors, used to assess residual binding of ~300 proteins simultaneously from cell lysate in the presence of a compound. Quantitative readout performed by mass spectrometry. Homo sapiens 98.0 nM
Inhibition of CDK2 (unknown origin) expressed in baculovirus infected Sf9 insect cells using histone H1 as substrate after 1 hr by liquid scintillation counting analysis Homo sapiens 1.0 nM
Inhibition of CDK5 (unknown origin) expressed in baculovirus infected Sf9 insect cells using histone H1 as substrate after 1 hr by liquid scintillation counting analysis Homo sapiens 1.0 nM
Inhibition of CDK1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using histone H1 as substrate after 1 hr by liquid scintillation counting analysis Homo sapiens 3.0 nM
Inhibition of CDK9 (unknown origin) expressed in baculovirus infected Sf9 insect cells using histone H1 as substrate after 1 hr by liquid scintillation counting analysis Homo sapiens 4.0 nM
Inhibition of N-terminal GST-HIS6 fusion protein tagged human full length CDK9 (M1 to F372 residues)/N-terminal GST-HIS6 fusion protein tagged human Cyclin-T1 (M1 to K726 residues) expressed in Sf9 cells at 10 uM using TAMRA-Rbtide substrate and ATP incubated for 1 hr by fluorescent polarization assay Homo sapiens 4.0 nM
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging Homo sapiens 79.41 %
Inhibition of recombinant CDK1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotinylated-histone H1 as substrate incubated for 1 hr in presence of cyclin by [33P]-ATP-based liquid scintillation counting method Homo sapiens 3.0 nM
Inhibition of recombinant CDK2 (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotinylated-histone H1 as substrate incubated for 1 hr in presence of cyclin by [33P]-ATP-based liquid scintillation counting method Homo sapiens 1.0 nM
Inhibition of recombinant CDK5 (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotinylated-histone H1 as substrate incubated for 1 hr in presence of cyclin by [33P]-ATP-based liquid scintillation counting method Homo sapiens 1.0 nM
Inhibition of recombinant CDK9 (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotinylated-histone H1 as substrate incubated for 1 hr in presence of cyclin by [33P]-ATP-based liquid scintillation counting method Homo sapiens 4.0 nM
Inhibition of recombinant CDK1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotinylated peptide as substrate after 1 hr in presence of [33P]ATP by TopCount scintillation counting method Homo sapiens 3.0 nM
Inhibition of recombinant CDK2 (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotinylated peptide as substrate after 1 hr in presence of [33P]ATP by TopCount scintillation counting method Homo sapiens 1.0 nM
Inhibition of recombinant CDK5 (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotinylated peptide as substrate after 1 hr in presence of [33P]ATP by TopCount scintillation counting method Homo sapiens 1.0 nM
Inhibition of recombinant CDK9 (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotinylated peptide as substrate after 1 hr in presence of [33P]ATP by TopCount scintillation counting method Homo sapiens 4.0 nM
Inhibition of His-tagged CDK2/Cyclin-E1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using histone H1 as substrate measured in presence of [gamma-33P]ATP Homo sapiens 2.0 nM
Inhibition of His-tagged CDK1/Cyclin-B1 (unknown origin) expressed in baculovirus infected Sf9 insect cells using histone H1 as substrate measured in presence of [gamma-33P]ATP Homo sapiens 72.0 nM
Inhibition of GST-tagged CDK2/Cyclin-A2 (unknown origin) expressed in Escherichia coli using histone H1 as substrate measured in presence of [gamma-33P]ATP Homo sapiens 3.0 nM
Inhibition of recombinant human N-terminal GST-fused CDK4 (S4 to E303 residues)/cyclin D1 (Q4 to I295 residues) expressed in baculovirus infected Sf9 insect cells using RPPTLSPIPHIPR as substrate measured in presence of [gamma-33P]ATP Homo sapiens 115.0 nM
Inhibition of recombinant human full-length N-terminal GST-His6 fused CDK5 (M1 to P292 residues)/N-terminal His6-tagged p25 (A104 to R307 residues) expressed in baculovirus infected Sf9 insect cells using histone H1 as substrate measured in presence of [gamma-33P]ATP Homo sapiens 67.0 nM
Inhibition of recombinant human N-terminal GST-His6-fused CDK7 (M1 to F346 residues)/N-terminal His-tagged cyclin H (M1 to L323 residues)/N-terminal His6-tagged MAT1 (M1 to S306 residues) expressed in baculovirus infected Sf9 insect cells using (YSPTSPS)2KK as substrate measured in presence of [gamma-33P]ATP Homo sapiens 170.0 nM
Inhibition of recombinant human N-terminal GST-His6-fused CDK9 (M1 to F372 residues)/N-terminal His6-tagged cyclin T1 (M1 to K726 residues) expressed in baculovirus infected Sf9 insect cells using (YSPTSPS)2KK as substrate measured in presence of [gamma-33P]ATP Homo sapiens 15.0 nM
Antiproliferative activity against human RIVA cells assessed as growth inhibition measured after 72 hrs by calcein AM dye-based fluorescence assay Homo sapiens 31.0 nM
Antiproliferative activity against human U2932 cells assessed as growth inhibition measured after 72 hrs by calcein AM dye-based fluorescence assay Homo sapiens 11.0 nM
Antiproliferative activity against human HBL1 cells assessed as growth inhibition measured after 72 hrs by calcein AM dye-based fluorescence assay Homo sapiens 13.0 nM
Antiproliferative activity against human TMD8 cells assessed as growth inhibition measured after 72 hrs by calcein AM dye-based fluorescence assay Homo sapiens 17.0 nM
Antiproliferative activity against human OCI-Ly2 cells assessed as growth inhibition measured after 72 hrs by calcein AM dye-based fluorescence assay Homo sapiens 11.0 nM
Antiproliferative activity against human OCI-LY7 cells assessed as growth inhibition measured after 72 hrs by calcein AM dye-based fluorescence assay Homo sapiens 2.0 nM
Antiproliferative activity against human SUDHL4 cells assessed as growth inhibition measured after 72 hrs by calcein AM dye-based fluorescence assay Homo sapiens 10.0 nM
Antiproliferative activity against human HT cells assessed as growth inhibition measured after 72 hrs by calcein AM dye-based fluorescence assay Homo sapiens 19.0 nM
Antiproliferative activity against human HBL2 cells assessed as growth inhibition measured after 72 hrs by calcein AM dye-based fluorescence assay Homo sapiens 13.0 nM
Antiproliferative activity against human JeKo1 cells assessed as growth inhibition measured after 72 hrs by calcein AM dye-based fluorescence assay Homo sapiens 14.0 nM
Antiproliferative activity against human Maver1 cells assessed as growth inhibition measured after 72 hrs by calcein AM dye-based fluorescence assay Homo sapiens 17.0 nM
Antiproliferative activity against human Mino cells assessed as growth inhibition measured after 72 hrs by calcein AM dye-based fluorescence assay Homo sapiens 11.0 nM
Antiproliferative activity against human UPF1H cells assessed as growth inhibition measured after 72 hrs by calcein AM dye-based fluorescence assay Homo sapiens 13.0 nM
Antiproliferative activity against human UPF7U cells assessed as growth inhibition measured after 72 hrs by calcein AM dye-based fluorescence assay Homo sapiens 19.0 nM
Antiproliferative activity against human Ramos cells assessed as growth inhibition measured after 72 hrs by calcein AM dye-based fluorescence assay Homo sapiens 15.0 nM
Antiproliferative activity against human Raji cells assessed as growth inhibition measured after 72 hrs by calcein AM dye-based fluorescence assay Homo sapiens 25.0 nM
Antiproliferative activity against human K562 cells assessed as growth inhibition measured after 72 hrs by calcein AM dye-based fluorescence assay Homo sapiens 11.0 nM
Antiproliferative activity against human CEM cells assessed as growth inhibition measured after 72 hrs by calcein AM dye-based fluorescence assay Homo sapiens 7.0 nM
Antiproliferative activity against human THP1 cells assessed as growth inhibition measured after 72 hrs by calcein AM dye-based fluorescence assay Homo sapiens 7.0 nM
Antiproliferative activity against human RPMI8226 cells assessed as growth inhibition measured after 72 hrs by calcein AM dye-based fluorescence assay Homo sapiens 9.0 nM
Antiproliferative activity against human MCF7 cells assessed as growth inhibition measured after 72 hrs by calcein AM dye-based fluorescence assay Homo sapiens 6.0 nM
Antiproliferative activity against human HeLa cells assessed as growth inhibition measured after 72 hrs by calcein AM dye-based fluorescence assay Homo sapiens 13.0 nM
Antiproliferative activity against human HCT116 cells assessed as growth inhibition measured after 72 hrs by calcein AM dye-based fluorescence assay Homo sapiens 7.0 nM
Antiproliferative activity against human G361 cells assessed as growth inhibition measured after 72 hrs by calcein AM dye-based fluorescence assay Homo sapiens 16.0 nM
Inhibition of CDK1 (unknown origin) Homo sapiens 3.0 nM
Inhibition of CDK2 (unknown origin) Homo sapiens 1.0 nM
Inhibition of CDK5 (unknown origin) Homo sapiens 1.0 nM
Inhibition of CDK9 (unknown origin) Homo sapiens 4.0 nM
Antiparasitic activity against bloodstream form of Trypanosoma brucei 221 infected in mouse VSMC assessed as reduction in parasitic proliferation after 48 hrs by cell titer-glo based assay Trypanosoma brucei 80.0 nM
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate Severe acute respiratory syndrome coronavirus 2 -4.859 %
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging Chlorocebus sabaeus 4.13 % Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging Chlorocebus sabaeus 4.13 %
Inhibition of AKR1C3 (unknown origin) expressed in human HCT116 cells incubated for 3 to 6 hrs by UHPLC analysis Homo sapiens 230.0 nM
Inhibition of human AKR1C3 expressed in Escherichia coli incubated for 30 mins in presence of NADPH regeneration system by UHPLC analysis Homo sapiens 70.0 nM
Inhibition of CDK1 (unknown origin) Homo sapiens 3.0 nM
Inhibition of CDK2 (unknown origin) Homo sapiens 1.0 nM
Inhibition of CDK5 (unknown origin) Homo sapiens 1.0 nM
Inhibition of CDK9 (unknown origin) Homo sapiens 4.0 nM
Inhibition of recombinant CDK1 (unknown origin) expressed in baculovirus infected Sf9 cells using biotinylated Histone H1 peptide as substrate incubated for 1 hr in presence of [33P]ATP by liquid scintillation counting method Homo sapiens 3.0 nM
Inhibition of recombinant CDK2 (unknown origin) expressed in baculovirus infected Sf9 cells using biotinylated Histone H1 peptide as substrate incubated for 1 hr in presence of [33P]ATP by liquid scintillation counting method Homo sapiens 1.0 nM
Inhibition of recombinant CDK5 (unknown origin) expressed in baculovirus infected Sf9 cells using biotinylated Histone H1 peptide as substrate incubated for 1 hr in presence of [33P]ATP by liquid scintillation counting method Homo sapiens 1.0 nM
Inhibition of recombinant CDK9 (unknown origin) expressed in baculovirus infected Sf9 cells using biotinylated Histone H1 peptide as substrate incubated for 1 hr in presence of [33P]ATP by liquid scintillation counting method Homo sapiens 4.0 nM
Inhibition of CDK2/cyclin E (unknown origin) using peptide substrate in presence of [gamma33P]ATP by image analyser Homo sapiens 4.0 nM
Binding affinity to CDK2 (unknown origin) by isothermal titration calorimetry Homo sapiens 18.4 nM
Inhibition of human CDK12 (696 to 1082 residues)/human cyclinK (1 to 267 residues) using pol2 CTD-peptide substrate and [gammaP]ATP by scintillation counting method Homo sapiens 40.0 nM
Inhibition of CDK8 in TNF-alpha-induced HEK293 cells by NF-kappaB reporter assay Homo sapiens 4.5 nM
Inhibition of CDK8 in TNF-alpha-induced CDK8 and CDK19-knockout HEK293 cells by NF-kappaB reporter assay Homo sapiens 3.4 nM
Inhibition of human CDK2 Homo sapiens 1.0 nM
Inhibition of human CDK9/cyclin-T1 using KTFCGTPEYLAPEVRREPRILSEEEQEMFRDFDYIADWC as substrate incubated for 2 hrs by [gamma-33P]-ATP assay Homo sapiens 2.7 nM
Inhibition of human GSK3A using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate incubated for 2 hrs by [gamma-33P]-ATP assay Homo sapiens 414.0 nM
Inhibition of human GSK3B using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate incubated for 2 hrs by [gamma-33P]-ATP assay Homo sapiens 324.0 nM
Inhibition of CDK2/Cyclin A1 (unknown origin) at 1 uM using histone H1 as substrate preincubated for 20 mins followed by 33P-ATP addition and measured after 2 hrs by filter binding method Homo sapiens 3.0 nM
Antiproliferative activity against human K562 cells assessed as cell death measured after 72 hrs by resazurin dye based assay Homo sapiens 13.0 nM
Antiproliferative activity against human MV4-11 cells assessed as cell death measured after 72 hrs by resazurin dye based assay Homo sapiens 7.0 nM
Inhibition of CDK1 (unknown origin) expressed in Sf9 insect cells using biotinylated peptide derived Histone H1 as substrate incubated for 1 hr in presence of [gamma33P]ATP by liquid scintillation counter method Homo sapiens 1.0 nM
Inhibition of CDK2 (unknown origin) expressed in Sf9 insect cells using biotinylated peptide derived Histone H1 as substrate incubated for 1 hr in presence of [gamma33P]ATP by liquid scintillation counter method Homo sapiens 1.0 nM
Inhibition of CDK4 (unknown origin) expressed in Sf9 insect cells incubated for 1 hr in presence of [gamma33P]ATP by liquid scintillation counter method Homo sapiens 1.0 nM
Inhibition of CDK5 (unknown origin) expressed in Sf9 insect cells using biotinylated peptide derived Histone H1 as substrate incubated for 1 hr in presence of [gamma33P]ATP by liquid scintillation counter method Homo sapiens 1.0 nM
Inhibition of CDK9 (unknown origin) expressed in Sf9 insect cells using biotinylated peptide derived Histone H1 as substrate incubated for 1 hr in presence of [gamma33P]ATP by liquid scintillation counter method Homo sapiens 1.0 nM
Inhibition of full length N-terminal GST fused human CDK5(1 to 292 residues)/ p25 (99 to 307 residues) expressed in baculovirus expression system using FL peptide as substrate preincubated for 30 mins followed by substrate addition further incubated for 60 mins by EZ reader method Homo sapiens 1.6 nM
Inhibition of Nano-Luc fused human full length CDK5/P35 transfected in HEK293 cells incubated for 1 hr by NanoBRET assay Homo sapiens 16.0 nM
Antiproliferative activity against human HEK293T cells assessed as cell growth inhibition incubated for 48 hrs Homo sapiens 23.0 nM

Cross References

Resources Reference
ChEBI 95060
ChEMBL CHEMBL2103840
DrugBank DB12021
FDA SRS 4V8ECV0NBQ
Guide to Pharmacology 7379
PubChem 46926350
SureChEMBL SCHEMBL12048446
ZINC ZINC000034894449
CONTENTS