Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50116387'   

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))	BDBM50116387 (2-Chloro-4-[5-(2-chloro-4-hydroxy-phenyl)-4,5-dihy...) Show SMILES Oc1ccc([C@H]2NC=N[C@H]2c2ccc(O)cc2Cl)c(Cl)c1 |r,c:7| Show InChI InChI=1S/C15H12Cl2N2O2/c16-12-5-8(20)1-3-10(12)14-15(19-7-18-14)11-4-2-9(21)6-13(11)17/h1-7,14-15,20-21H,(H,18,19)/t14-,15+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	380	n/a	n/a	n/a	n/a
Freie Universitat Berlin Curated by ChEMBL					Assay Description Transactivation of ERalpha in human MCF7-2a cells assessed as luciferase reporter gene expression				J Med Chem 51: 7318-22 (2009) Article DOI: 10.1021/jm8008376 BindingDB Entry DOI: 10.7270/Q2X63MSZ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50116387 (2-Chloro-4-[5-(2-chloro-4-hydroxy-phenyl)-4,5-dihy...) Show SMILES Oc1ccc([C@H]2NC=N[C@H]2c2ccc(O)cc2Cl)c(Cl)c1 |r,c:7| Show InChI InChI=1S/C15H12Cl2N2O2/c16-12-5-8(20)1-3-10(12)14-15(19-7-18-14)11-4-2-9(21)6-13(11)17/h1-7,14-15,20-21H,(H,18,19)/t14-,15+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	380	n/a	n/a	n/a	n/a
Free University of Berlin Curated by ChEMBL					Assay Description Agonist activity in transcriptional activation assay in MCF-7-2a cells compared to estradiol E2				J Med Chem 45: 3356-65 (2002) BindingDB Entry DOI: 10.7270/Q29W0GP4
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50116387 (2-Chloro-4-[5-(2-chloro-4-hydroxy-phenyl)-4,5-dihy...) Show SMILES Oc1ccc([C@H]2NC=N[C@H]2c2ccc(O)cc2Cl)c(Cl)c1 |r,c:7| Show InChI InChI=1S/C15H12Cl2N2O2/c16-12-5-8(20)1-3-10(12)14-15(19-7-18-14)11-4-2-9(21)6-13(11)17/h1-7,14-15,20-21H,(H,18,19)/t14-,15+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	380	n/a	n/a	n/a	n/a
Free University of Berlin Curated by ChEMBL					Assay Description Concentration required to activate luciferase expression in MCF-7-2a cells				J Med Chem 47: 915-27 (2004) Article DOI: 10.1021/jm0309809 BindingDB Entry DOI: 10.7270/Q2BP041Q
					More data for this Ligand-Target Pair