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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 485.4
BDBM50338011

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))
BDBM50338011
PNG
(1-((S)-2-(5,6-dichloro-1H-benzo[d]imidazol-2-yl)py...)
Show SMILES Clc1cc2nc([nH]c2cc1Cl)[C@@H]1CCCN1C(=O)CCN1CCCC(CC1)c1ccccc1 |r|
Show InChI InChI=1S/C26H30Cl2N4O/c27-20-16-22-23(17-21(20)28)30-26(29-22)24-9-5-13-32(24)25(33)11-15-31-12-4-8-19(10-14-31)18-6-2-1-3-7-18/h1-3,6-7,16-17,19,24H,4-5,8-15H2,(H,29,30)/t19?,24-/m0/s1
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Similars

Article
PubMed
n/an/a 25n/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