Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-3' and Ligand = 'BDBM10401'   

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))	BDBM10401 (methyl (2S)-2-{[7-methyl-3,5-dioxo-4-(1,3,5-trimet...) Show SMILES COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2nc(C)c3C(=O)N(C(=O)c3c2c1)c1c(C)nn(C)c1C |r| Show InChI InChI=1S/C28H27N5O6S/c1-15-23-24(27(35)33(26(23)34)25-16(2)30-32(4)17(25)3)20-14-19(11-12-21(20)29-15)40(37,38)31-22(28(36)39-5)13-18-9-7-6-8-10-18/h6-12,14,22,31H,13H2,1-5H3/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	23	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Diversity Research Institute					Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ...				Bioorg Med Chem Lett 15: 1841-5 (2005) Article DOI: 10.1016/j.bmcl.2005.02.027 BindingDB Entry DOI: 10.7270/Q2KK991B
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