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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 451.5
BDBM50328580

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))
BDBM50328580
PNG
(3-(Biphenyl-4-yl)-1-[2-(4,5-dimethyl-1H-benzimidaz...)
Show SMILES Cc1ccc2nc([nH]c2c1C)C(=O)[C@@H]1CCCN1C(=O)CCc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C29H29N3O2/c1-19-10-16-24-27(20(19)2)31-29(30-24)28(34)25-9-6-18-32(25)26(33)17-13-21-11-14-23(15-12-21)22-7-4-3-5-8-22/h3-5,7-8,10-12,14-16,25H,6,9,13,17-18H2,1-2H3,(H,30,31)/t25-/m0/s1
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Similars

Article
PubMed
n/an/a 1.46E+5n/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