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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 463.5
BDBM50328568

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))
BDBM50328568
PNG
(3-(Biphenyl-4-yl)-1-[2-(4-methyl-5-phenyl-1H-imida...)
Show SMILES Cc1[nH]c(nc1-c1ccccc1)C(=O)[C@@H]1CCCN1C(=O)CCc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C30H29N3O2/c1-21-28(25-11-6-3-7-12-25)32-30(31-21)29(35)26-13-8-20-33(26)27(34)19-16-22-14-17-24(18-15-22)23-9-4-2-5-10-23/h2-7,9-12,14-15,17-18,26H,8,13,16,19-20H2,1H3,(H,31,32)/t26-/m0/s1
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Similars

Article
PubMed
n/an/a 3.38E+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