Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM177788'   

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))	BDBM177788 (US9120791, Example 3 | US9603854, 3) Show SMILES Oc1ccc(cc1)N(C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(Cl)cc1 Show InChI InChI=1S/C43H41ClN4O6/c44-30-8-10-31(11-9-30)48(32-12-14-34(49)15-13-32)43(51)37-22-39(46-16-4-3-7-38(37)46)35-23-40-41(54-27-53-40)24-36(35)42(50)47-25-29-6-2-1-5-28(29)21-33(47)26-45-17-19-52-20-18-45/h1-2,5-6,8-15,22-24,33,49H,3-4,7,16-21,25-27H2/t33-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	20	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))	BDBM177788 (US9120791, Example 3 | US9603854, 3) Show SMILES Oc1ccc(cc1)N(C(=O)c1cc(-c2cc3OCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(Cl)cc1 Show InChI InChI=1S/C43H41ClN4O6/c44-30-8-10-31(11-9-30)48(32-12-14-34(49)15-13-32)43(51)37-22-39(46-16-4-3-7-38(37)46)35-23-40-41(54-27-53-40)24-36(35)42(50)47-25-29-6-2-1-5-28(29)21-33(47)26-45-17-19-52-20-18-45/h1-2,5-6,8-15,22-24,33,49H,3-4,7,16-21,25-27H2/t33-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	20	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