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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 502.9
BDBM50361760

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))
BDBM50361760
PNG
(CHEMBL1938496)
Show SMILES Clc1ccc(cc1)C(NC(=O)CCN1CCC(CC1)c1nc(no1)-c1ccccn1)c1ccncc1
Show InChI InChI=1S/C27H27ClN6O2/c28-22-6-4-19(5-7-22)25(20-8-14-29-15-9-20)31-24(35)12-18-34-16-10-21(11-17-34)27-32-26(33-36-27)23-3-1-2-13-30-23/h1-9,13-15,21,25H,10-12,16-18H2,(H,31,35)
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PC sid
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Similars

Article
PubMed
n/an/a 2.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate measured for 30 mins by continuous fluorometric assay


Bioorg Med Chem Lett 22: 658-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.060
BindingDB Entry DOI: 10.7270/Q2B56K50
More data for this
Ligand-Target Pair