Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM145087'   

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))	BDBM145087 (US8952157, 277 | US9303025, 277) Show SMILES CC1(C)CC(=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cc4cc[nH]c4cc3F)c2)CO1)c1ccc(Cl)cc1 |t:4| Show InChI InChI=1S/C45H48ClFN6O8S/c1-45(2)25-37(30-3-5-33(46)6-4-30)32(28-60-45)27-51-15-17-52(18-16-51)34-7-9-36(42(22-34)61-43-21-31-11-14-48-40(31)24-38(43)47)44(54)50-62(57,58)35-8-10-39(41(23-35)53(55)56)49-26-29-12-19-59-20-13-29/h3-11,14,21-24,29,48-49H,12-13,15-20,25-28H2,1-2H3,(H,50,54)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.0170	-61.5	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))	BDBM145087 (US8952157, 277 | US9303025, 277) Show SMILES CC1(C)CC(=C(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cc4cc[nH]c4cc3F)c2)CO1)c1ccc(Cl)cc1 |t:4| Show InChI InChI=1S/C45H48ClFN6O8S/c1-45(2)25-37(30-3-5-33(46)6-4-30)32(28-60-45)27-51-15-17-52(18-16-51)34-7-9-36(42(22-34)61-43-21-31-11-14-48-40(31)24-38(43)47)44(54)50-62(57,58)35-8-10-39(41(23-35)53(55)56)49-26-29-12-19-59-20-13-29/h3-11,14,21-24,29,48-49H,12-13,15-20,25-28H2,1-2H3,(H,50,54)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.0170	-61.5	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