Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM179577'   

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))	BDBM179577 (US9126980, 22) Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)Cc2ccc(Cl)c(Cl)c2)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r| Show InChI InChI=1S/C37H43Cl2N5O4S/c1-4-6-16-42(17-7-5-2)37(47)34-18-25(3)44(40-34)35-15-13-29(41-49(48)24-26-12-14-32(38)33(39)19-26)21-31(35)36(46)43-22-28-11-9-8-10-27(28)20-30(43)23-45/h8-15,18-19,21,30,41,45H,4-7,16-17,20,22-24H2,1-3H3/t30-,49?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Methods for Determining IC50s.The present method includes utility of a Surface plasmon resonance (SPR)- based biosensor (Biacore GE Healthcare, Uppsa...				US Patent US9126980 (2015) BindingDB Entry DOI: 10.7270/Q2S18184
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM179577 (US9126980, 22) Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)Cc2ccc(Cl)c(Cl)c2)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r| Show InChI InChI=1S/C37H43Cl2N5O4S/c1-4-6-16-42(17-7-5-2)37(47)34-18-25(3)44(40-34)35-15-13-29(41-49(48)24-26-12-14-32(38)33(39)19-26)21-31(35)36(46)43-22-28-11-9-8-10-27(28)20-30(43)23-45/h8-15,18-19,21,30,41,45H,4-7,16-17,20,22-24H2,1-3H3/t30-,49?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis AG US Patent					Assay Description Methods for Determining IC50s.The present method includes utility of a Surface plasmon resonance (SPR)- based biosensor (Biacore GE Healthcare, Uppsa...				US Patent US9126980 (2015) BindingDB Entry DOI: 10.7270/Q2S18184
					More data for this Ligand-Target Pair