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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 371.4
BDBM50328540

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Lysosomal Pro-X carboxypeptidase


(Homo sapiens (Human))
BDBM50328540
PNG
(CHEMBL1259130 | N-(1-(2-(benzo[d]oxazole-2-carbony...)
Show SMILES CCCCC(NC(C)=O)C(=O)N1CCCC1C(=O)c1nc2ccccc2o1
Show InChI InChI=1S/C20H25N3O4/c1-3-4-8-15(21-13(2)24)20(26)23-12-7-10-16(23)18(25)19-22-14-9-5-6-11-17(14)27-19/h5-6,9,11,15-16H,3-4,7-8,10,12H2,1-2H3,(H,21,24)
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PC sid
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Similars

Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PrCP by FRET


J Med Chem 53: 7251-63 (2010)


Article DOI: 10.1021/jm101013m
BindingDB Entry DOI: 10.7270/Q2QV3MQR
More data for this
Ligand-Target Pair