Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for entry = 50008710   

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
					More data for this Ligand-Target Pair
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
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50076332 (1-amino-12-(4-hydroxyphenyl)-1,12-dicarba-closo-do...) Show SMILES N[C]12=34[B]567[B]89%10[B]55%11[B]%12%13%14[B]%15%16%17[B]88([B]169[B]2%158[B]=3%12%16[B]475%13)[C]%10%11%14%17c1ccc(O)cc1 Show InChI InChI=1S/C8H7B10NO/c19-8-14-9-7(5-1-3-6(20)4-2-5)10(9,14)12(7)13(7)11(7,9)15(8,9,14)17(8,11,13)18(8,12,13)16(8,10,12)14/h1-4,20H,19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC sid UniChem	Article PubMed	0.650	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
					More data for this Ligand-Target Pair