BDBM50238734 CHEMBL4101656

SMILES: CCCCCC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1

InChI Key: InChIKey=HYQAPXLAKCEYCF-WIGIVBSYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50238734   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Estrogen receptor (Homo sapiens (Human))	BDBM50238734 (CHEMBL4101656) Show SMILES CCCCCC(=O)\C=C\c1ccc(cc1)C(=C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1 |TLB:15:16:18:22.20.21,THB:20:19:16:22.21.23,20:21:18.19.25:16,23:21:18:25.24.16,23:24:18:22.20.21,(20.65,-10.04,;21.99,-10.82,;23.32,-10.05,;24.66,-10.82,;25.99,-10.05,;27.32,-10.82,;27.32,-12.36,;28.66,-10.05,;29.99,-10.82,;31.32,-10.05,;31.33,-8.51,;32.65,-7.74,;33.99,-8.5,;34,-10.05,;32.66,-10.82,;35.32,-7.73,;36.66,-8.49,;36.67,-9.98,;35.47,-11.25,;36.96,-10.84,;38.38,-11.4,;39.38,-10.12,;37.99,-10.47,;39.4,-8.59,;38,-8.02,;36.96,-9.25,;35.32,-6.19,;36.65,-5.42,;36.64,-3.88,;35.31,-3.12,;35.3,-1.58,;33.97,-3.9,;33.98,-5.44,)| Show InChI InChI=1S/C31H36O2/c1-2-3-4-5-28(32)13-8-21-6-9-24(10-7-21)30(25-11-14-29(33)15-12-25)31-26-17-22-16-23(19-26)20-27(31)18-22/h6-15,22-23,26-27,33H,2-5,16-20H2,1H3/b13-8+,31-30-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full-length human ERalpha receptor by scintillation counting				J Med Chem 60: 6321-6336 (2017) Article DOI: 10.1021/acs.jmedchem.7b00585 BindingDB Entry DOI: 10.7270/Q2RB76V7
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