Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50398937'   

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))	BDBM50398937 (CHEMBL2178793) Show SMILES CCCn1c(cc(c1-c1ccc(O)cc1F)-c1ccc(O)cc1F)-c1ccc(O)cc1F |(56.08,-39.94,;55.75,-38.44,;56.89,-37.4,;56.56,-35.9,;55.15,-35.28,;55.31,-33.74,;56.81,-33.42,;57.59,-34.75,;59.12,-34.9,;60.01,-33.66,;61.54,-33.81,;62.18,-35.21,;63.71,-35.37,;61.28,-36.46,;59.75,-36.31,;58.84,-37.56,;57.44,-32.01,;58.97,-31.85,;59.59,-30.44,;58.68,-29.2,;59.3,-27.79,;57.14,-29.37,;56.53,-30.78,;55,-30.95,;53.82,-36.05,;52.48,-35.29,;51.15,-36.06,;51.15,-37.6,;49.82,-38.37,;52.48,-38.37,;53.82,-37.6,;55.16,-38.37,)| Show InChI InChI=1S/C25H20F3NO3/c1-2-9-29-24(18-7-4-15(31)11-22(18)27)13-20(17-6-3-14(30)10-21(17)26)25(29)19-8-5-16(32)12-23(19)28/h3-8,10-13,30-32H,2,9H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.200	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))	BDBM50398937 (CHEMBL2178793) Show SMILES CCCn1c(cc(c1-c1ccc(O)cc1F)-c1ccc(O)cc1F)-c1ccc(O)cc1F |(56.08,-39.94,;55.75,-38.44,;56.89,-37.4,;56.56,-35.9,;55.15,-35.28,;55.31,-33.74,;56.81,-33.42,;57.59,-34.75,;59.12,-34.9,;60.01,-33.66,;61.54,-33.81,;62.18,-35.21,;63.71,-35.37,;61.28,-36.46,;59.75,-36.31,;58.84,-37.56,;57.44,-32.01,;58.97,-31.85,;59.59,-30.44,;58.68,-29.2,;59.3,-27.79,;57.14,-29.37,;56.53,-30.78,;55,-30.95,;53.82,-36.05,;52.48,-35.29,;51.15,-36.06,;51.15,-37.6,;49.82,-38.37,;52.48,-38.37,;53.82,-37.6,;55.16,-38.37,)| Show InChI InChI=1S/C25H20F3NO3/c1-2-9-29-24(18-7-4-15(31)11-22(18)27)13-20(17-6-3-14(30)10-21(17)26)25(29)19-8-5-16(32)12-23(19)28/h3-8,10-13,30-32H,2,9H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	23	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