Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM177822'   

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))	BDBM177822 (US9120791, Example 41 | US9603854, 41) Show SMILES CN1CCOc2cc(ccc12)N(C(=O)c1cc(-c2cc3OCCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(O)cc1 Show InChI InChI=1S/C47H49N5O7/c1-48-16-21-57-43-25-34(11-14-41(43)48)52(33-9-12-36(53)13-10-33)47(55)39-26-42(50-15-5-4-8-40(39)50)37-27-44-45(59-23-22-58-44)28-38(37)46(54)51-29-32-7-3-2-6-31(32)24-35(51)30-49-17-19-56-20-18-49/h2-3,6-7,9-14,25-28,35,53H,4-5,8,15-24,29-30H2,1H3/t35-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	26	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))	BDBM177822 (US9120791, Example 41 | US9603854, 41) Show SMILES CN1CCOc2cc(ccc12)N(C(=O)c1cc(-c2cc3OCCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(O)cc1 Show InChI InChI=1S/C47H49N5O7/c1-48-16-21-57-43-25-34(11-14-41(43)48)52(33-9-12-36(53)13-10-33)47(55)39-26-42(50-15-5-4-8-40(39)50)37-27-44-45(59-23-22-58-44)28-38(37)46(54)51-29-32-7-3-2-6-31(32)24-35(51)30-49-17-19-56-20-18-49/h2-3,6-7,9-14,25-28,35,53H,4-5,8,15-24,29-30H2,1H3/t35-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	26	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