Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM145178'   

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))	BDBM145178 (US8952157, 369 | US9303025, 369) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CN(CCO4)C4CC4)c(c3)[N+]([O-])=O)c(Oc3cnc(N)c(Cl)c3)c2)=C(C1)c1ccc(Cl)cc1 |c:59| Show InChI InChI=1S/C45H52Cl2N8O7S/c1-45(2)14-13-30(38(24-45)29-3-5-31(46)6-4-29)27-52-15-17-53(18-16-52)33-9-11-37(42(21-33)62-34-22-39(47)43(48)50-25-34)44(56)51-63(59,60)36-10-12-40(41(23-36)55(57)58)49-26-35-28-54(19-20-61-35)32-7-8-32/h3-6,9-12,21-23,25,32,35,49H,7-8,13-20,24,26-28H2,1-2H3,(H2,48,50)(H,51,56)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.0140	-62.0	n/a	n/a	n/a	n/a	n/a	n/a	25
AbbVie Inc. US Patent					Assay Description Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 μM (2× starting concentration; 10% DMSO) and 10 μ...				US Patent US9303025 (2016) BindingDB Entry DOI: 10.7270/Q2XD10JP
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM145178 (US8952157, 369 | US9303025, 369) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CN(CCO4)C4CC4)c(c3)[N+]([O-])=O)c(Oc3cnc(N)c(Cl)c3)c2)=C(C1)c1ccc(Cl)cc1 |c:59| Show InChI InChI=1S/C45H52Cl2N8O7S/c1-45(2)14-13-30(38(24-45)29-3-5-31(46)6-4-29)27-52-15-17-53(18-16-52)33-9-11-37(42(21-33)62-34-22-39(47)43(48)50-25-34)44(56)51-63(59,60)36-10-12-40(41(23-36)55(57)58)49-26-35-28-54(19-20-61-35)32-7-8-32/h3-6,9-12,21-23,25,32,35,49H,7-8,13-20,24,26-28H2,1-2H3,(H2,48,50)(H,51,56)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.0140	-62.0	n/a	n/a	n/a	n/a	n/a	n/a	25
AbbVie Inc.; The Walter and Eliza Hall Institute of Medical Research US Patent					Assay Description Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were tr...				US Patent US8952157 (2015) BindingDB Entry DOI: 10.7270/Q2QN65G9
					More data for this Ligand-Target Pair