Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50514286'   

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))	BDBM50514286 (CHEMBL4448178) Show SMILES Cc1ccccc1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OC2CN(CCCF)C2)cc1 Show InChI InChI=1S/C28H26FNO4S/c1-18-5-2-3-6-23(18)26(32)28-27(24-12-7-19(31)15-25(24)35-28)34-21-10-8-20(9-11-21)33-22-16-30(17-22)14-4-13-29/h2-3,5-12,15,22,31H,4,13-14,16-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Antagonist activity at ERalpha in human MCF7:WS8 cells incubated for 18 hrs by dual luciferase reporter gene assay relative to control				J Med Chem 62: 11301-11323 (2019) Article DOI: 10.1021/acs.jmedchem.9b01580 BindingDB Entry DOI: 10.7270/Q2K64NDQ
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50514286 (CHEMBL4448178) Show SMILES Cc1ccccc1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(OC2CN(CCCF)C2)cc1 Show InChI InChI=1S/C28H26FNO4S/c1-18-5-2-3-6-23(18)26(32)28-27(24-12-7-19(31)15-25(24)35-28)34-21-10-8-20(9-11-21)33-22-16-30(17-22)14-4-13-29/h2-3,5-12,15,22,31H,4,13-14,16-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of ERalpha in human MCF7:WS8 cells assessed as increase in degradation of ERalpha incubated for 24 hrs by In-Cell Western assay				J Med Chem 62: 11301-11323 (2019) Article DOI: 10.1021/acs.jmedchem.9b01580 BindingDB Entry DOI: 10.7270/Q2K64NDQ
					More data for this Ligand-Target Pair