Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM50397462'   

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))	BDBM50397462 (CHEMBL2170848) Show SMILES Cc1c(C(O)=O)c(c(-c2ccc(Cl)cc2)n1C)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN3CCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)cc1 |r| Show InChI InChI=1S/C49H50ClF3N6O6S3/c1-33-45(48(60)61)46(47(56(33)2)34-12-14-36(50)15-13-34)35-8-6-9-40(30-35)59-28-26-58(27-29-59)39-18-16-37(17-19-39)55-68(64,65)42-20-21-43(44(31-42)67(62,63)49(51,52)53)54-38(22-25-57-23-7-24-57)32-66-41-10-4-3-5-11-41/h3-6,8-21,30-31,38,54-55H,7,22-29,32H2,1-2H3,(H,60,61)/t38-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay				J Med Chem 55: 8502-14 (2012) Article DOI: 10.1021/jm3010306 BindingDB Entry DOI: 10.7270/Q2V69KQ9
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM50397462 (CHEMBL2170848) Show SMILES Cc1c(C(O)=O)c(c(-c2ccc(Cl)cc2)n1C)-c1cccc(c1)N1CCN(CC1)c1ccc(NS(=O)(=O)c2ccc(N[C@H](CCN3CCC3)CSc3ccccc3)c(c2)S(=O)(=O)C(F)(F)F)cc1 |r| Show InChI InChI=1S/C49H50ClF3N6O6S3/c1-33-45(48(60)61)46(47(56(33)2)34-12-14-36(50)15-13-34)35-8-6-9-40(30-35)59-28-26-58(27-29-59)39-18-16-37(17-19-39)55-68(64,65)42-20-21-43(44(31-42)67(62,63)49(51,52)53)54-38(22-25-57-23-7-24-57)32-66-41-10-4-3-5-11-41/h3-6,8-21,30-31,38,54-55H,7,22-29,32H2,1-2H3,(H,60,61)/t38-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay				J Med Chem 55: 8502-14 (2012) Article DOI: 10.1021/jm3010306 BindingDB Entry DOI: 10.7270/Q2V69KQ9
					More data for this Ligand-Target Pair