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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 493.5
BDBM50328571

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))
BDBM50328571
PNG
(3-(2-{1-[3-(Biphenyl-4-yl)propanoyl]pyrrolidin-2-y...)
Show SMILES OC(=O)c1cccc(c1)-c1c[nH]c(n1)C(=O)[C@@H]1CCCN1C(=O)CCc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C30H27N3O4/c34-27(16-13-20-11-14-22(15-12-20)21-6-2-1-3-7-21)33-17-5-10-26(33)28(35)29-31-19-25(32-29)23-8-4-9-24(18-23)30(36)37/h1-4,6-9,11-12,14-15,18-19,26H,5,10,13,16-17H2,(H,31,32)(H,36,37)/t26-/m0/s1
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MMDB

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Similars

Article
PubMed
n/an/a 8.27E+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