Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM179594'   

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))	BDBM179594 (US9126980, 39) Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)c2scc(C(=O)OC)c2OC)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r| Show InChI InChI=1S/C37H45N5O7S2/c1-6-8-16-40(17-9-7-2)35(45)31-18-24(3)42(38-31)32-15-14-27(39-51(47)37-33(48-4)30(23-50-37)36(46)49-5)20-29(32)34(44)41-21-26-13-11-10-12-25(26)19-28(41)22-43/h10-15,18,20,23,28,39,43H,6-9,16-17,19,21-22H2,1-5H3/t28-,51?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	566	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))	BDBM179594 (US9126980, 39) Show SMILES CCCCN(CCCC)C(=O)c1cc(C)n(n1)-c1ccc(NS(=O)c2scc(C(=O)OC)c2OC)cc1C(=O)N1Cc2ccccc2C[C@H]1CO |r| Show InChI InChI=1S/C37H45N5O7S2/c1-6-8-16-40(17-9-7-2)35(45)31-18-24(3)42(38-31)32-15-14-27(39-51(47)37-33(48-4)30(23-50-37)36(46)49-5)20-29(32)34(44)41-21-26-13-11-10-12-25(26)19-28(41)22-43/h10-15,18,20,23,28,39,43H,6-9,16-17,19,21-22H2,1-5H3/t28-,51?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	632	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