Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50149494'   

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))	BDBM50149494 ((2S,3R)-2-{4-[2-(7-Aza-bicyclo[2.2.1]hept-7-yl)-et...) Show SMILES Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2C3CCC2CC3)cc1 |TLB:24:25:27.28:31.30| Show InChI InChI=1S/C28H29NO4S/c30-22-9-1-19(2-10-22)28-27(33-25-14-11-23(31)17-26(25)34-28)18-3-12-24(13-4-18)32-16-15-29-20-5-6-21(29)8-7-20/h1-4,9-14,17,20-21,27-28,30-31H,5-8,15-16H2/t20?,21?,27-,28+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding potency for human ER alpha				Bioorg Med Chem Lett 14: 3861-4 (2004) Article DOI: 10.1016/j.bmcl.2004.05.074 BindingDB Entry DOI: 10.7270/Q2C24VW7
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