Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Estrogen receptor' and Ligand = 'BDBM50383076'   

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))	BDBM50383076 (CHEMBL2031518) Show SMILES Cc1cc(O)ccc1C1=C([C@H]2[C@H](C[C@@H]1S2=O)S(=O)(=O)Oc1ccccc1)c1ccc(O)cc1C |r,t:9,TLB:7:8:11.12:14,26:9:11.12:14| Show InChI InChI=1S/C26H24O6S2/c1-15-12-17(27)8-10-20(15)24-22-14-23(34(30,31)32-19-6-4-3-5-7-19)26(33(22)29)25(24)21-11-9-18(28)13-16(21)2/h3-13,22-23,26-28H,14H2,1-2H3/t22-,23-,26+,33?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	0.140	n/a	n/a	n/a	n/a
Wuhan University Curated by ChEMBL					Assay Description Agonist activity at human ERalpha expressed in HepG2 cells after 24 hrs by luciferase reporter gene assay				J Med Chem 55: 2324-41 (2012) Article DOI: 10.1021/jm201556r BindingDB Entry DOI: 10.7270/Q2VT1T4R
					More data for this Ligand-Target Pair				3D Structure (crystal)