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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 443.3
BDBM50338012

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))
BDBM50338012
PNG
((S)-1-(2-(5,6-dichloro-1H-benzo[d]imidazol-2-yl)py...)
Show SMILES Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1C(=O)CCN1CC(C1)c1ccccc1 |r|
Show InChI InChI=1S/C23H24Cl2N4O/c24-17-11-19-20(12-18(17)25)27-23(26-19)21-7-4-9-29(21)22(30)8-10-28-13-16(14-28)15-5-2-1-3-6-15/h1-3,5-6,11-12,16,21H,4,7-10,13-14H2,(H,26,27)/t21-/m0/s1
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MMDB

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Similars

Article
PubMed
n/an/a 141n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PrCP


Bioorg Med Chem Lett 21: 1299-305 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.090
BindingDB Entry DOI: 10.7270/Q2VX0GSS
More data for this
Ligand-Target Pair