Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM177838'   

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 (Mus musculus (Mouse))	BDBM177838 (US9120791, Example 57) Show SMILES CN1CCN(C[C@@H]2Cc3ccccc3CN2C(=O)c2ccc3OCOc3c2-c2cc(C(=O)N(c3ccc(O)cc3)c3ccc4n(C)ccc4c3)c3ccccn23)CC1 |wU:6.5,(9.68,5.43,;10.45,6.76,;11.98,6.6,;12.89,7.84,;12.26,9.25,;13.17,10.5,;14.7,10.34,;15.32,8.93,;16.86,8.77,;17.48,7.36,;19.01,7.2,;19.92,8.45,;19.29,9.85,;17.76,10.01,;17.14,11.42,;15.6,11.58,;14.98,12.99,;13.45,13.15,;15.88,14.24,;17.41,14.07,;18.32,15.32,;17.69,16.73,;18.46,18.06,;17.1,19.15,;15.76,18.38,;16.16,16.89,;15.26,15.64,;13.72,15.8,;12.69,14.66,;11.29,15.28,;9.95,14.51,;9.95,12.97,;8.62,15.28,;8.62,16.82,;7.29,17.59,;7.29,19.13,;8.62,19.9,;8.62,21.44,;9.95,19.13,;9.95,17.59,;7.29,14.51,;7.29,12.97,;5.95,12.2,;4.62,12.97,;3.15,12.5,;2.68,11.03,;2.25,13.74,;3.15,14.99,;4.62,14.51,;5.95,15.28,;11.45,16.82,;10.42,17.96,;10.89,19.43,;12.4,19.75,;13.43,18.6,;12.95,17.14,;10.73,9.41,;9.83,8.17,)| Show InChI InChI=1S/C47H44N6O5/c1-48-21-23-50(24-22-48)29-36-25-31-7-3-4-8-33(31)28-52(36)46(55)38-15-17-43-45(58-30-57-43)44(38)42-27-39(41-9-5-6-19-51(41)42)47(56)53(34-10-13-37(54)14-11-34)35-12-16-40-32(26-35)18-20-49(40)2/h3-20,26-27,36,54H,21-25,28-30H2,1-2H3/t36-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	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
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