Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM145014'   

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))	BDBM145014 (US8952157, 201 | US9303025, 201) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CC4)C4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cc4cc[nH]c4c(F)c3F)c2)=C(C1)c1ccc(Cl)cc1 |c:65| Show InChI InChI=1S/C50H56ClF2N7O7S/c1-50(2)17-11-34(41(30-50)32-3-5-35(51)6-4-32)31-57-21-23-59(24-22-57)38-7-9-40(44(28-38)67-45-27-33-12-18-54-48(33)47(53)46(45)52)49(61)56-68(64,65)39-8-10-42(43(29-39)60(62)63)55-36-13-19-58(20-14-36)37-15-25-66-26-16-37/h3-10,12,18,27-29,36-37,54-55H,11,13-17,19-26,30-31H2,1-2H3,(H,56,61)	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))	BDBM145014 (US8952157, 201 | US9303025, 201) Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NC4CCN(CC4)C4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cc4cc[nH]c4c(F)c3F)c2)=C(C1)c1ccc(Cl)cc1 |c:65| Show InChI InChI=1S/C50H56ClF2N7O7S/c1-50(2)17-11-34(41(30-50)32-3-5-35(51)6-4-32)31-57-21-23-59(24-22-57)38-7-9-40(44(28-38)67-45-27-33-12-18-54-48(33)47(53)46(45)52)49(61)56-68(64,65)39-8-10-42(43(29-39)60(62)63)55-36-13-19-58(20-14-36)37-15-25-66-26-16-37/h3-10,12,18,27-29,36-37,54-55H,11,13-17,19-26,30-31H2,1-2H3,(H,56,61)	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