Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM50397481'   

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))	BDBM50397481 (CHEMBL2170852) Show SMILES CN1CCN(CCCNC(=O)c2c(C)n(C)c(c2-c2cccc(c2)N2CCN(CC2)c2ccc(NS(=O)(=O)c3cccc(c3)[N+]([O-])=O)cc2)-c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C43H49ClN8O5S/c1-31-40(43(53)45-19-6-20-49-23-21-47(2)22-24-49)41(42(48(31)3)32-11-13-34(44)14-12-32)33-7-4-8-37(29-33)51-27-25-50(26-28-51)36-17-15-35(16-18-36)46-58(56,57)39-10-5-9-38(30-39)52(54)55/h4-5,7-18,29-30,46H,6,19-28H2,1-3H3,(H,45,53)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31.3	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))	BDBM50397481 (CHEMBL2170852) Show SMILES CN1CCN(CCCNC(=O)c2c(C)n(C)c(c2-c2cccc(c2)N2CCN(CC2)c2ccc(NS(=O)(=O)c3cccc(c3)[N+]([O-])=O)cc2)-c2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C43H49ClN8O5S/c1-31-40(43(53)45-19-6-20-49-23-21-47(2)22-24-49)41(42(48(31)3)32-11-13-34(44)14-12-32)33-7-4-8-37(29-33)51-27-25-50(26-28-51)36-17-15-35(16-18-36)46-58(56,57)39-10-5-9-38(30-39)52(54)55/h4-5,7-18,29-30,46H,6,19-28H2,1-3H3,(H,45,53)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	117	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