Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM50162727'   

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))	BDBM50162727 (CHEMBL3794524) Show SMILES [O-][N+](=O)c1cc(ccc1NC1CCOCC1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC2=C(CCOC2)c2ccc(Cl)cc2)CC1 |t:36| Show InChI InChI=1S/C34H38ClN5O7S/c35-27-5-1-24(2-6-27)31-13-20-47-23-26(31)22-38-14-16-39(17-15-38)29-7-3-25(4-8-29)34(41)37-48(44,45)30-9-10-32(33(21-30)40(42)43)36-28-11-18-46-19-12-28/h1-10,21,28,36H,11-20,22-23H2,(H,37,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Binding affinity to Bcl-2 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 26: 2105-14 (2016) Article DOI: 10.1016/j.bmcl.2016.03.032 BindingDB Entry DOI: 10.7270/Q23F4RK8
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