Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-3' and Ligand = 'BDBM279'   

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))	BDBM279 (5-{[(5-{[(2S)-3-carboxy-1-(7-methoxy-1,3-benzoxazo...) Show SMILES COc1cccc2nc(oc12)C(=O)[C@H](CC(O)=O)NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)nc1 |r| Show InChI InChI=1S/C26H22N4O11S/c1-40-20-4-2-3-17-23(20)41-25(30-17)22(34)18(10-21(32)33)29-24(35)13-5-6-14(27-11-13)12-28-42(38,39)15-7-8-19(31)16(9-15)26(36)37/h2-9,11,18,28,31H,10,12H2,1H3,(H,29,35)(H,32,33)(H,36,37)/t18-/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	410	-36.5	n/a	n/a	n/a	n/a	n/a	7.4	25
Sunesis Pharmaceuticals					Assay Description The effectiveness of compounds against the activity of human recombinant caspase-1-8 was measured using fluorometric assays. Assays were carried out ...				J Med Chem 45: 5005-22 (2002) Article DOI: 10.1021/jm020230j BindingDB Entry DOI: 10.7270/Q2B56GW5
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