Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM145099'   

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))	BDBM145099 (US8952157, 289 | US9303025, 289) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CC4)C4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccc4NC(=O)Cc34)c2)=C(C1)c1ccc(Cl)cc1 |c:64| Show InChI InChI=1S/C50H58ClN7O8S/c1-50(2)19-14-34(42(31-50)33-6-8-35(51)9-7-33)32-55-22-24-57(25-23-55)38-10-12-40(47(28-38)66-46-5-3-4-43-41(46)30-48(59)53-43)49(60)54-67(63,64)39-11-13-44(45(29-39)58(61)62)52-36-15-20-56(21-16-36)37-17-26-65-27-18-37/h3-13,28-29,36-37,52H,14-27,30-32H2,1-2H3,(H,53,59)(H,54,60)	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))	BDBM145099 (US8952157, 289 | US9303025, 289) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CC4)C4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cccc4NC(=O)Cc34)c2)=C(C1)c1ccc(Cl)cc1 |c:64| Show InChI InChI=1S/C50H58ClN7O8S/c1-50(2)19-14-34(42(31-50)33-6-8-35(51)9-7-33)32-55-22-24-57(25-23-55)38-10-12-40(47(28-38)66-46-5-3-4-43-41(46)30-48(59)53-43)49(60)54-67(63,64)39-11-13-44(45(29-39)58(61)62)52-36-15-20-56(21-16-36)37-17-26-65-27-18-37/h3-13,28-29,36-37,52H,14-27,30-32H2,1-2H3,(H,53,59)(H,54,60)	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