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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 437.5
BDBM50328581

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))
BDBM50328581
PNG
(2-(Biphenyl-4-yloxy)-1-[(2S)-2-(4-methyl-1H-benzim...)
Show SMILES Cc1ccccc1-c1c[nH]c(n1)[C@@H]1CCCN1C(=O)COc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C28H27N3O2/c1-20-8-5-6-11-24(20)25-18-29-28(30-25)26-12-7-17-31(26)27(32)19-33-23-15-13-22(14-16-23)21-9-3-2-4-10-21/h2-6,8-11,13-16,18,26H,7,12,17,19H2,1H3,(H,29,30)/t26-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 432n/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