Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-3' and Ligand = 'BDBM275'   

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))	BDBM275 ((3S)-4-oxo-3-[(6-{[3-(1H-1,2,3,4-tetrazol-5-yl)ben...) Show SMILES OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2cccc(c2)-c2nnn[nH]2)nc1)C=O |r| Show InChI InChI=1S/C18H17N7O6S/c26-10-14(7-16(27)28)21-18(29)12-4-5-13(19-8-12)9-20-32(30,31)15-3-1-2-11(6-15)17-22-24-25-23-17/h1-6,8,10,14,20H,7,9H2,(H,21,29)(H,27,28)(H,22,23,24,25)/t14-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	440	-36.3	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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