Synonyms
Status
Molecule Category Free-form

Structure

InChI Key KPQQGHGDBBJGFA-QNGWXLTQSA-N
Smiles CS[C@@]1(C(=O)Nc2ccc3[nH]nc(-c4ccc(OC(C)C)nc4)c3c2)CCN(CC(=O)N2CC=C(c3ccc(-c4ncn(C)n4)cc3)CC2)C1
InChI
InChI=1S/C37H41N9O3S/c1-24(2)49-32-12-9-28(20-38-32)34-30-19-29(10-11-31(30)41-42-34)40-36(48)37(50-4)15-18-45(22-37)21-33(47)46-16-13-26(14-17-46)25-5-7-27(8-6-25)35-39-23-44(3)43-35/h5-13,19-20,23-24H,14-18,21-22H2,1-4H3,(H,40,48)(H,41,42)/t37-/m0/s1

Pharmacology

Mechanism of Action Action Reference
MAP kinase ERK1 inhibitor INHIBITOR Other
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 7-371 - - -3.5-100

Target Conservation

Protein: MAP kinase ERK1

Description: Mitogen-activated protein kinase 3

Organism : Homo sapiens

P27361 ENSG00000102882
Protein: MAP kinase ERK2

Description: Mitogen-activated protein kinase 1

Organism : Homo sapiens

P28482 ENSG00000100030

Cross References

Resources Reference
ChEMBL CHEMBL3545001