Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-3' and Ligand = 'BDBM10374'   

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))	BDBM10374 (2-[12-(morpholine-4-sulfonyl)-3,5-dioxo-7-(pyridin...) Show SMILES CC(=O)OCCN1C(=O)c2c(C1=O)c1cc(ccc1nc2-c1cccnc1)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C24H22N4O7S/c1-15(29)35-12-9-28-23(30)20-18-13-17(36(32,33)27-7-10-34-11-8-27)4-5-19(18)26-22(21(20)24(28)31)16-3-2-6-25-14-16/h2-6,13-14H,7-12H2,1H3	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	33	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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