Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM145177'   

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))	BDBM145177 (US8952157, 368 | US9303025, 368) Show SMILES Cn1c2c(Oc3cc(ccc3C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)N3CCN(CC4=C(CC(C)(C)CC4)c4ccc(Cl)cc4)CC3)cccc2[nH]c1=O |t:42| Show InChI InChI=1S/C46H52ClN7O8S/c1-46(2)18-15-32(37(27-46)31-7-9-33(47)10-8-31)29-52-19-21-53(22-20-52)34-11-13-36(42(25-34)62-41-6-4-5-39-43(41)51(3)45(56)49-39)44(55)50-63(59,60)35-12-14-38(40(26-35)54(57)58)48-28-30-16-23-61-24-17-30/h4-14,25-26,30,48H,15-24,27-29H2,1-3H3,(H,49,56)(H,50,55)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	<0.0100	<-62.8	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))	BDBM145177 (US8952157, 368 | US9303025, 368) Show SMILES Cn1c2c(Oc3cc(ccc3C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)N3CCN(CC4=C(CC(C)(C)CC4)c4ccc(Cl)cc4)CC3)cccc2[nH]c1=O |t:42| Show InChI InChI=1S/C46H52ClN7O8S/c1-46(2)18-15-32(37(27-46)31-7-9-33(47)10-8-31)29-52-19-21-53(22-20-52)34-11-13-36(42(25-34)62-41-6-4-5-39-43(41)51(3)45(56)49-39)44(55)50-63(59,60)35-12-14-38(40(26-35)54(57)58)48-28-30-16-23-61-24-17-30/h4-14,25-26,30,48H,15-24,27-29H2,1-3H3,(H,49,56)(H,50,55)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	<0.0100	<-62.8	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