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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 423.5
BDBM50328554

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))
BDBM50328554
PNG
(3-(Biphenyl-4-yl)-1-[(2S)-2-(4-phenyl-1H-imidazol-...)
Show SMILES O=C(CCc1ccc(cc1)-c1ccccc1)N1CCC[C@H]1C(=O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1S/C27H25N3O2/c31-25(17-14-19-12-15-21(16-13-19)20-7-2-1-3-8-20)30-18-6-11-24(30)26(32)27-28-22-9-4-5-10-23(22)29-27/h1-5,7-10,12-13,15-16,24H,6,11,14,17-18H2,(H,28,29)/t24-/m0/s1
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MMDB

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Similars

Article
PubMed
n/an/a 223n/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