Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM60596'   

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))	BDBM60596 (US9120791, 36 | US9603854, 36) Show SMILES CCOc1ccc(C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)c(c1)-c1cc(C(=O)N(c2ccc(O)cc2)c2ccc3n(C)ccc3c2)c2CCCCn12 Show InChI InChI=1S/C47H49N5O5/c1-3-57-39-16-17-40(46(54)51-30-34-9-5-4-8-32(34)26-37(51)31-49-22-24-56-25-23-49)41(28-39)45-29-42(44-10-6-7-20-50(44)45)47(55)52(35-11-14-38(53)15-12-35)36-13-18-43-33(27-36)19-21-48(43)2/h4-5,8-9,11-19,21,27-29,37,53H,3,6-7,10,20,22-26,30-31H2,1-2H3/t37-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD US Patent					Assay Description The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...				US Patent US9603854 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DMT
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Mus musculus (Mouse))	BDBM60596 (US9120791, 36 | US9603854, 36) Show SMILES CCOc1ccc(C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)c(c1)-c1cc(C(=O)N(c2ccc(O)cc2)c2ccc3n(C)ccc3c2)c2CCCCn12 Show InChI InChI=1S/C47H49N5O5/c1-3-57-39-16-17-40(46(54)51-30-34-9-5-4-8-32(34)26-37(51)31-49-22-24-56-25-23-49)41(28-39)45-29-42(44-10-6-7-20-50(44)45)47(55)52(35-11-14-38(53)15-12-35)36-13-18-43-33(27-36)19-21-48(43)2/h4-5,8-9,11-19,21,27-29,37,53H,3,6-7,10,20,22-26,30-31H2,1-2H3/t37-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	43	n/a	n/a	n/a	n/a	7.4	n/a
LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD US Patent					Assay Description The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...				US Patent US9120791 (2015) BindingDB Entry DOI: 10.7270/Q21N7ZWC
					More data for this Ligand-Target Pair