ACOLBIFENE


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70


InChI Key	DUYNJNWVGIWJRI-LJAQVGFWSA-N
Smiles	CC1=C(c2ccc(O)cc2)[C@H](c2ccc(OCCN3CCCCC3)cc2)Oc2cc(O)ccc21
InChI	InChI=1S/C29H31NO4/c1-20-26-14-11-24(32)19-27(26)34-29(28(20)21-5-9-23(31)10-6-21)22-7-12-25(13-8-22)33-18-17-30-15-3-2-4-16-30/h5-14,19,29,31-32H,2-4,15-18H2,1H3/t29-/m0/s1

Mechanism of Action	Action	Reference
Estrogen receptor modulator	MODULATOR	PubMed PubMed Wikipedia Other


Protein: Estrogen receptor Description: Estrogen receptor Organism : Homo sapiens P03372 ENSG00000091831











Protein: Estrogen receptor Description: Estrogen receptor beta Organism : Homo sapiens Q92731 ENSG00000140009

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Oxidoreductase	-	-	-	-	3-4
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group A Nuclear hormone receptor subfamily 3 group A member 1	-	0-1	-	0-0	-
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group A Nuclear hormone receptor subfamily 3 group A member 2	-	0-1	-	0-0	-

Assay Description	Organism	Bioactivity
Apparent inhibition constant for estrogen receptor in Human Breast cancer cytosol in 2.5%DMF	Homo sapiens	0.076 nM
Inhibition of estradiol binding to estrogen receptor in Human Breast cancer cytosol (3.3% ethanol)	Homo sapiens	0.047 nM
Apparent inhibition constant for estrogen receptor in Human uterine cytosol in 2.5%DMF	Homo sapiens	0.069 nM
Apparent inhibition constant for estrogen receptor in Human uterine cytosol in 3.3%ethanol	Homo sapiens	0.042 nM
Inhibition of estradiol-stimulated T-47D cell proliferation.	Homo sapiens	0.14 nM
Apparent binding affinity against estradiol-stimulated T-47D cell proliferation	Homo sapiens	0.015 nM
Inhibition of estradiol-stimulated ZR-75-1-cell proliferation	Homo sapiens	0.55 nM
Apparent binding affinity against estradiol-stimulated ZR-75-1-cell proliferation	Homo sapiens	0.09 nM
Inhibition of human 17beta-HSD7 expressed in HEK293 cells assessed as inhibition of reduction of [14C]estrone into [14C]estradiol at 0.3 uM after 7 hrs	Homo sapiens	3.1 %
Inhibition of human 17beta-HSD7 expressed in HEK293 cells assessed as inhibition of reduction of [14C]estrone into [14C]estradiol at 3 uM after 7 hrs	Homo sapiens	4.2 %

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