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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 439.5
BDBM50328573

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))
BDBM50328573
PNG
(3-(Biphenyl-4-yl)-1-{2-[5-(furan-2-yl)-1H-imidazol...)
Show SMILES O=C(CCc1ccc(cc1)-c1ccccc1)N1CCC[C@H]1C(=O)c1nc(c[nH]1)-c1ccco1 |r|
Show InChI InChI=1S/C27H25N3O3/c31-25(15-12-19-10-13-21(14-11-19)20-6-2-1-3-7-20)30-16-4-8-23(30)26(32)27-28-18-22(29-27)24-9-5-17-33-24/h1-3,5-7,9-11,13-14,17-18,23H,4,8,12,15-16H2,(H,28,29)/t23-/m0/s1
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.40E+4n/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