Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50233215'   

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))	BDBM50233215 (CHEMBL4070169) Show SMILES Cc1ccc(C(=O)c2sc3cc(O)ccc3c2Oc2ccc(\C=C\C(O)=O)cc2)c(C)c1 Show InChI InChI=1S/C26H20O5S/c1-15-3-10-20(16(2)13-15)24(30)26-25(21-11-7-18(27)14-22(21)32-26)31-19-8-4-17(5-9-19)6-12-23(28)29/h3-14,27H,1-2H3,(H,28,29)/b12-6+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois College of Pharmacy Curated by ChEMBL					Assay Description Displacement of [3H]estradiol from full length recombinant human ESR1 expressed in insect cells by radiometric assay				J Med Chem 60: 1325-1342 (2017) Article DOI: 10.1021/acs.jmedchem.6b01355 BindingDB Entry DOI: 10.7270/Q29P33WB
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50233215 (CHEMBL4070169) Show SMILES Cc1ccc(C(=O)c2sc3cc(O)ccc3c2Oc2ccc(\C=C\C(O)=O)cc2)c(C)c1 Show InChI InChI=1S/C26H20O5S/c1-15-3-10-20(16(2)13-15)24(30)26-25(21-11-7-18(27)14-22(21)32-26)31-19-8-4-17(5-9-19)6-12-23(28)29/h3-14,27H,1-2H3,(H,28,29)/b12-6+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois College of Pharmacy Curated by ChEMBL					Assay Description Antagonist activity at ERalpha in tamoxifen-sensitive human MCF7:WS8 cells assessed as inhibition of estradiol-induced response after 18 hrs by lucif...				J Med Chem 60: 1325-1342 (2017) Article DOI: 10.1021/acs.jmedchem.6b01355 BindingDB Entry DOI: 10.7270/Q29P33WB
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50233215 (CHEMBL4070169) Show SMILES Cc1ccc(C(=O)c2sc3cc(O)ccc3c2Oc2ccc(\C=C\C(O)=O)cc2)c(C)c1 Show InChI InChI=1S/C26H20O5S/c1-15-3-10-20(16(2)13-15)24(30)26-25(21-11-7-18(27)14-22(21)32-26)31-19-8-4-17(5-9-19)6-12-23(28)29/h3-14,27H,1-2H3,(H,28,29)/b12-6+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.920	n/a	n/a	n/a	n/a
University of Illinois College of Pharmacy Curated by ChEMBL					Assay Description Induction of ERalpha degradation in tamoxifen-sensitive human MCF7:WS8 cells after 24 hrs by CellTag 700 staining based In-cell western assay				J Med Chem 60: 1325-1342 (2017) Article DOI: 10.1021/acs.jmedchem.6b01355 BindingDB Entry DOI: 10.7270/Q29P33WB
					More data for this Ligand-Target Pair