Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50094737'   

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))	BDBM50094737 (CHEMBL3589365) Show SMILES OC(=O)CCCCCCC(=O)Nc1ccc(cc1)C1=C(C2CC(C1O2)S(=O)(=O)Oc1ccccc1C(F)(F)F)c1ccc(O)cc1 |t:19| Show InChI InChI=1S/C33H32F3NO8S/c34-33(35,36)24-7-5-6-8-25(24)45-46(42,43)27-19-26-30(20-13-17-23(38)18-14-20)31(32(27)44-26)21-11-15-22(16-12-21)37-28(39)9-3-1-2-4-10-29(40)41/h5-8,11-18,26-27,32,38H,1-4,9-10,19H2,(H,37,39)(H,40,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.88E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Key Laboratory of Combinatorial Biosynthesis and Drug Discovery (Wuhan University) Curated by ChEMBL					Assay Description Binding affinity to human ER-alpha ligand binding domain after 2 hrs by competitive fluorometric binding assay				J Med Chem 58: 4550-72 (2015) Article DOI: 10.1021/acs.jmedchem.5b00099 BindingDB Entry DOI: 10.7270/Q2Z321CF
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50094737 (CHEMBL3589365) Show SMILES OC(=O)CCCCCCC(=O)Nc1ccc(cc1)C1=C(C2CC(C1O2)S(=O)(=O)Oc1ccccc1C(F)(F)F)c1ccc(O)cc1 |t:19| Show InChI InChI=1S/C33H32F3NO8S/c34-33(35,36)24-7-5-6-8-25(24)45-46(42,43)27-19-26-30(20-13-17-23(38)18-14-20)31(32(27)44-26)21-11-15-22(16-12-21)37-28(39)9-3-1-2-4-10-29(40)41/h5-8,11-18,26-27,32,38H,1-4,9-10,19H2,(H,37,39)(H,40,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
Key Laboratory of Combinatorial Biosynthesis and Drug Discovery (Wuhan University) Curated by ChEMBL					Assay Description Antagonist activity at ER-alpha (unknown origin) transfected in HEK293T cells assessed as inhibition of transcriptional activity after 24 hrs by luci...				J Med Chem 58: 4550-72 (2015) Article DOI: 10.1021/acs.jmedchem.5b00099 BindingDB Entry DOI: 10.7270/Q2Z321CF
					More data for this Ligand-Target Pair