Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50194087'   

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))	BDBM50194087 (1-{2-[4-(9a-benzyl-7-hydroxy-3-oxo-2,3,9,9a-tetrah...) Show SMILES Oc1ccc2C3=C(C(=O)CCC3(Cc3ccccc3)Cc2c1)c1ccc(OCCN2CCCCC2)cc1 |t:5| Show InChI InChI=1S/C33H35NO3/c35-27-11-14-29-26(21-27)23-33(22-24-7-3-1-4-8-24)16-15-30(36)31(32(29)33)25-9-12-28(13-10-25)37-20-19-34-17-5-2-6-18-34/h1,3-4,7-14,21,35H,2,5-6,15-20,22-23H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
IRBM (Merck Research Laboratories Rome) Curated by ChEMBL					Assay Description Binding affinity to ERalpha L384M/M421G mutant				J Med Chem 49: 5404-7 (2006) Article DOI: 10.1021/jm060516e BindingDB Entry DOI: 10.7270/Q2DB81GH
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50194087 (1-{2-[4-(9a-benzyl-7-hydroxy-3-oxo-2,3,9,9a-tetrah...) Show SMILES Oc1ccc2C3=C(C(=O)CCC3(Cc3ccccc3)Cc2c1)c1ccc(OCCN2CCCCC2)cc1 |t:5| Show InChI InChI=1S/C33H35NO3/c35-27-11-14-29-26(21-27)23-33(22-24-7-3-1-4-8-24)16-15-30(36)31(32(29)33)25-9-12-28(13-10-25)37-20-19-34-17-5-2-6-18-34/h1,3-4,7-14,21,35H,2,5-6,15-20,22-23H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
IRBM (Merck Research Laboratories Rome) Curated by ChEMBL					Assay Description Binding affinity to human ER alpha				J Med Chem 49: 5404-7 (2006) Article DOI: 10.1021/jm060516e BindingDB Entry DOI: 10.7270/Q2DB81GH
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50194087 (1-{2-[4-(9a-benzyl-7-hydroxy-3-oxo-2,3,9,9a-tetrah...) Show SMILES Oc1ccc2C3=C(C(=O)CCC3(Cc3ccccc3)Cc2c1)c1ccc(OCCN2CCCCC2)cc1 |t:5| Show InChI InChI=1S/C33H35NO3/c35-27-11-14-29-26(21-27)23-33(22-24-7-3-1-4-8-24)16-15-30(36)31(32(29)33)25-9-12-28(13-10-25)37-20-19-34-17-5-2-6-18-34/h1,3-4,7-14,21,35H,2,5-6,15-20,22-23H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a
IRBM (Merck Research Laboratories Rome) Curated by ChEMBL					Assay Description Activity at ERalpha L384M/M421G/G521R mutant in HeLa cells assessed as activation of SEAP reporter gene				J Med Chem 49: 5404-7 (2006) Article DOI: 10.1021/jm060516e BindingDB Entry DOI: 10.7270/Q2DB81GH
					More data for this Ligand-Target Pair