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SMILES: COc1cccc2nc(oc12)C(=O)[C@H](CC(O)=O)NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1

InChI Key: InChIKey=GGYJPVNQLXYGOZ-INIZCTEOSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 248   
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))		BDBM248
PNG
(5-({5-[1-Carboxymethyl-2-(7-methyl-benzoxazol-2-yl...)
Show SMILES COc1cccc2nc(oc12)C(=O)[C@H](CC(O)=O)NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1 |r|
Show InChI InChI=1S/C25H21N3O11S2/c1-38-18-4-2-3-15-22(18)39-24(28-15)21(32)16(10-20(30)31)27-23(33)19-8-5-12(40-19)11-26-41(36,37)13-6-7-17(29)14(9-13)25(34)35/h2-9,16,26,29H,10-11H2,1H3,(H,27,33)(H,30,31)(H,34,35)/t16-/m0/s1
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Similars
Article
PubMed
 290 -8.91n/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