Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-3' and Ligand = 'BDBM10363'   

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))	BDBM10363 (2-[7-hydroxy-12-(morpholine-4-sulfonyl)-3,5-dioxo-...) Show SMILES CC(=O)OCCN1C(=O)c2c(C1=O)c(=O)[nH]c1ccc(cc21)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C19H19N3O8S/c1-11(23)30-9-6-22-18(25)15-13-10-12(31(27,28)21-4-7-29-8-5-21)2-3-14(13)20-17(24)16(15)19(22)26/h2-3,10H,4-9H2,1H3,(H,20,24)	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	1.09E+4	n/a	n/a	n/a	n/a	7.5	22
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 ...				J Med Chem 48: 3680-3 (2005) Article DOI: 10.1021/jm048987t BindingDB Entry DOI: 10.7270/Q2QC01QR
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