Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-3' and Ligand = 'BDBM10577'   

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
Caspase-3 (Homo sapiens (Human))	BDBM10577 ((3S)-3-{[5-(benzylsulfamoyl)pyridin-3-yl]formamido...) Show SMILES OC(=O)C[C@H](NC(=O)c1cncc(c1)S(=O)(=O)NCc1ccccc1)C(=O)CSCc1ccc(F)cc1 |r| Show InChI InChI=1S/C25H24FN3O6S2/c26-20-8-6-18(7-9-20)15-36-16-23(30)22(11-24(31)32)29-25(33)19-10-21(14-27-13-19)37(34,35)28-12-17-4-2-1-3-5-17/h1-10,13-14,22,28H,11-12,15-16H2,(H,29,33)(H,31,32)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Canada & Co.					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors, and the accumulation of AMC was assessed with a Cytof...				Bioorg Med Chem Lett 13: 2137-40 (2003) Article DOI: 10.1016/s0960-894x(03)00390-1 BindingDB Entry DOI: 10.7270/Q25D8Q2X
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