Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50076331'   

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))	BDBM50076331 (1-(hydroxymethyl)-12-(4-hydroxyphenyl)-1,12-dicarb...) Show SMILES C[B]1234[B]567[B]89%10[B]%11%12%13[B]%14%15%16[B]15([B]2%141[B]%11%152=[C]311(CO)[B]8%122[B]4691)[C]7%10%13%16c1ccc(O)cc1 Show InChI InChI=1S/C10H11B10O2/c1-20-9(6-21)11-12(9)13(11)10(7-2-4-8(22)5-3-7)14(11,13)16(9,11,20)18(10,14,20)19(10,20)15(10,12,13)17(9,12,19)20/h2-5,21-22H,6H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Tokyo Curated by ChEMBL					Assay Description In vitro inhibition of [6,7-3H]-17beta-estradiol binding to human estrogen receptor alpha				J Med Chem 42: 1501-4 (1999) Article DOI: 10.1021/jm9900725 BindingDB Entry DOI: 10.7270/Q2H1316V
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