Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50398939'   

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))	BDBM50398939 (CHEMBL2179257) Show SMILES Cn1c(cc(c1-c1ccc(O)cc1F)-c1ccc(O)cc1)-c1ccc(O)cc1F |(23.88,-38.17,;23.55,-36.66,;22.14,-36.04,;22.3,-34.51,;23.8,-34.18,;24.58,-35.52,;26.1,-35.67,;27,-34.42,;28.53,-34.57,;29.17,-35.98,;30.7,-36.14,;28.27,-37.23,;26.73,-37.08,;25.83,-38.32,;24.42,-32.78,;25.96,-32.62,;26.58,-31.21,;25.67,-29.97,;26.29,-28.56,;24.13,-30.14,;23.52,-31.55,;20.81,-36.82,;19.47,-36.05,;18.14,-36.83,;18.14,-38.37,;16.81,-39.14,;19.47,-39.14,;20.81,-38.37,;22.15,-39.14,)| Show InChI InChI=1S/C23H17F2NO3/c1-26-22(17-8-6-15(28)10-20(17)24)12-19(13-2-4-14(27)5-3-13)23(26)18-9-7-16(29)11-21(18)25/h2-12,27-29H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	15	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))	BDBM50398939 (CHEMBL2179257) Show SMILES Cn1c(cc(c1-c1ccc(O)cc1F)-c1ccc(O)cc1)-c1ccc(O)cc1F |(23.88,-38.17,;23.55,-36.66,;22.14,-36.04,;22.3,-34.51,;23.8,-34.18,;24.58,-35.52,;26.1,-35.67,;27,-34.42,;28.53,-34.57,;29.17,-35.98,;30.7,-36.14,;28.27,-37.23,;26.73,-37.08,;25.83,-38.32,;24.42,-32.78,;25.96,-32.62,;26.58,-31.21,;25.67,-29.97,;26.29,-28.56,;24.13,-30.14,;23.52,-31.55,;20.81,-36.82,;19.47,-36.05,;18.14,-36.83,;18.14,-38.37,;16.81,-39.14,;19.47,-39.14,;20.81,-38.37,;22.15,-39.14,)| Show InChI InChI=1S/C23H17F2NO3/c1-26-22(17-8-6-15(28)10-20(17)24)12-19(13-2-4-14(27)5-3-13)23(26)18-9-7-16(29)11-21(18)25/h2-12,27-29H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	290	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