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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 473.3
BDBM50338025

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))
BDBM50338025
PNG
((S)-1-(2-(5,6-dichloro-1H-benzo[d]imidazol-2-yl)py...)
Show SMILES Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1C(=O)CCN1CCC(CC1)c1ncccn1 |r|
Show InChI InChI=1S/C23H26Cl2N6O/c24-16-13-18-19(14-17(16)25)29-23(28-18)20-3-1-9-31(20)21(32)6-12-30-10-4-15(5-11-30)22-26-7-2-8-27-22/h2,7-8,13-15,20H,1,3-6,9-12H2,(H,28,29)/t20-/m0/s1
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MMDB

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Similars

Article
PubMed
n/an/a 44n/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