Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50398941'   

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))	BDBM50398941 (CHEMBL2179253) Show SMILES CCCn1c(cc(c1-c1ccc(O)cc1Cl)-c1ccc(O)cc1)-c1ccc(O)cc1 |(31.93,-24.98,;31.61,-23.47,;32.75,-22.44,;32.42,-20.93,;31.01,-20.31,;31.17,-18.78,;32.67,-18.45,;33.45,-19.78,;34.97,-19.94,;35.87,-18.69,;37.4,-18.84,;38.04,-20.25,;39.57,-20.4,;37.13,-21.5,;35.6,-21.34,;34.7,-22.59,;33.29,-17.05,;34.82,-16.88,;35.45,-15.48,;34.54,-14.23,;35.15,-12.82,;33,-14.41,;32.38,-15.81,;29.67,-21.09,;28.34,-20.32,;27.01,-21.09,;27.01,-22.64,;25.67,-23.41,;28.34,-23.41,;29.68,-22.64,)| Show InChI InChI=1S/C25H22ClNO3/c1-2-13-27-24(17-5-9-19(29)10-6-17)15-22(16-3-7-18(28)8-4-16)25(27)21-12-11-20(30)14-23(21)26/h3-12,14-15,28-30H,2,13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.310	n/a	n/a	n/a	n/a
Freie Universit£t Berlin Curated by ChEMBL					Assay Description Activation of human ERalpha expressed in human U2-OS cells by luciferase reporter gene assay relative to untreated control				J Med Chem 55: 9607-18 (2012) Article DOI: 10.1021/jm300860j BindingDB Entry DOI: 10.7270/Q2R212H2
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50398941 (CHEMBL2179253) Show SMILES CCCn1c(cc(c1-c1ccc(O)cc1Cl)-c1ccc(O)cc1)-c1ccc(O)cc1 |(31.93,-24.98,;31.61,-23.47,;32.75,-22.44,;32.42,-20.93,;31.01,-20.31,;31.17,-18.78,;32.67,-18.45,;33.45,-19.78,;34.97,-19.94,;35.87,-18.69,;37.4,-18.84,;38.04,-20.25,;39.57,-20.4,;37.13,-21.5,;35.6,-21.34,;34.7,-22.59,;33.29,-17.05,;34.82,-16.88,;35.45,-15.48,;34.54,-14.23,;35.15,-12.82,;33,-14.41,;32.38,-15.81,;29.67,-21.09,;28.34,-20.32,;27.01,-21.09,;27.01,-22.64,;25.67,-23.41,;28.34,-23.41,;29.68,-22.64,)| Show InChI InChI=1S/C25H22ClNO3/c1-2-13-27-24(17-5-9-19(29)10-6-17)15-22(16-3-7-18(28)8-4-16)25(27)21-12-11-20(30)14-23(21)26/h3-12,14-15,28-30H,2,13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	63	n/a	n/a	n/a	n/a
Freie Universit£t Berlin Curated by ChEMBL					Assay Description Activation of ERalpha in human MCF7/2a cells by luciferase reporter gene assay relative to untreated control				J Med Chem 55: 9607-18 (2012) Article DOI: 10.1021/jm300860j BindingDB Entry DOI: 10.7270/Q2R212H2
					More data for this Ligand-Target Pair