Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM50318193'   

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
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50318193 ((Z)-3-(4-((7-(3-Methoxyphenyl)-9-oxo-5H-benzo[h]th...) Show SMILES COc1cccc(c1)C1C2=C(N=c3s\c(=C/c4ccc(o4)-c4cccc(c4)C(O)=O)c(=O)n13)c1ccccc1CC2 |c:10,t:12| Show InChI InChI=1S/C33H24N2O5S/c1-39-23-10-5-8-21(17-23)30-26-14-12-19-6-2-3-11-25(19)29(26)34-33-35(30)31(36)28(41-33)18-24-13-15-27(40-24)20-7-4-9-22(16-20)32(37)38/h2-11,13,15-18,30H,12,14H2,1H3,(H,37,38)/b28-18-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.94E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Displacement of FITC labeled BH3 peptide from His-tagged human BCL2 after 1 hr by fluorescence polarization assay				J Med Chem 53: 3465-79 (2010) Article DOI: 10.1021/jm901004c BindingDB Entry DOI: 10.7270/Q2QF8T11
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