Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50161701'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Estrogen receptor (Homo sapiens (Human))	BDBM50161701 ((3-Chloro-phenyl)-(4-{4-[6-hydroxy-2-(4-hydroxy-ph...) Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C32H25ClN2O4S/c33-23-3-1-2-22(18-23)32(39)35-16-14-34(15-17-35)24-8-4-20(5-9-24)30(38)29-27-13-12-26(37)19-28(27)40-31(29)21-6-10-25(36)11-7-21/h1-13,18-19,36-37H,14-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of estrogen receptor alpha				Bioorg Med Chem Lett 15: 1505-7 (2005) Article DOI: 10.1016/j.bmcl.2004.12.074 BindingDB Entry DOI: 10.7270/Q2D21X4C
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