Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50076330'   

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))	BDBM50076330 (1-(4-hydroxyphenyl)-1,12-dicarba-closo-dodecaboran...) Show SMILES C[B]1234[B]567[B]89%10[B]55%11[B]88%12[B]%13%14%15[B]11([B]2%132[B]365[C]%118%142c2ccc(O)cc2)[B]9%12%15=[C]47%101 Show InChI InChI=1S/C9H8B10O/c1-19-8-10-11(8)13(8,19)16(11)9(6-2-4-7(20)5-3-6)14(10,11,16)15(9,10)12(8,10,19)17(9,15,19)18(9,13,16)19/h2-5,20H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC sid UniChem Similars	Article PubMed	0.400	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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