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SMILES: OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2cccc(c2)-c2nc(=O)o[nH]2)s1)C(=O)CSCc1ccccc1Cl

InChI Key: InChIKey=USVOMZAPZHSFMM-FQEVSTJZSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 252   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Caspase-3


(Homo sapiens (Human))		BDBM252
PNG
((3S)-5-{[(2-chlorophenyl)methyl]sulfanyl}-4-oxo-3-...)
Show SMILES OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2cccc(c2)-c2nc(=O)o[nH]2)s1)C(=O)CSCc1ccccc1Cl |r|
Show InChI InChI=1S/C26H23ClN4O8S3/c27-19-7-2-1-4-16(19)13-40-14-21(32)20(11-23(33)34)29-25(35)22-9-8-17(41-22)12-28-42(37,38)18-6-3-5-15(10-18)24-30-26(36)39-31-24/h1-10,20,28H,11-14H2,(H,29,35)(H,33,34)(H,30,31,36)/t20-/m0/s1
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MMDB

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Article
PubMed
 310 -8.87n/an/an/an/an/a7.425



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
More data for this
Ligand-Target Pair