Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM177821'   

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))	BDBM177821 (US9120791, Example 40 | US9603854, 40) Show SMILES CN1CCCc2cc(ccc12)N(C(=O)c1cc(-c2cc3OCCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(O)cc1 Show InChI InChI=1S/C48H51N5O6/c1-49-17-6-9-33-26-36(13-16-42(33)49)53(35-11-14-38(54)15-12-35)48(56)41-27-44(51-18-5-4-10-43(41)51)39-28-45-46(59-24-23-58-45)29-40(39)47(55)52-30-34-8-3-2-7-32(34)25-37(52)31-50-19-21-57-22-20-50/h2-3,7-8,11-16,26-29,37,54H,4-6,9-10,17-25,30-31H2,1H3/t37-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	15	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))	BDBM177821 (US9120791, Example 40 | US9603854, 40) Show SMILES CN1CCCc2cc(ccc12)N(C(=O)c1cc(-c2cc3OCCOc3cc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(O)cc1 Show InChI InChI=1S/C48H51N5O6/c1-49-17-6-9-33-26-36(13-16-42(33)49)53(35-11-14-38(54)15-12-35)48(56)41-27-44(51-18-5-4-10-43(41)51)39-28-45-46(59-24-23-58-45)29-40(39)47(55)52-30-34-8-3-2-7-32(34)25-37(52)31-50-19-21-57-22-20-50/h2-3,7-8,11-16,26-29,37,54H,4-6,9-10,17-25,30-31H2,1H3/t37-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	15	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