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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 429.5
BDBM50328564

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))
BDBM50328564
PNG
(3-(Biphenyl-4-yl)-1-[(2S)-2-(5-tert-butyl-1H-imida...)
Show SMILES CC(C)(C)c1cnc([nH]1)C(=O)[C@@H]1CCCN1C(=O)CCc1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C27H31N3O2/c1-27(2,3)23-18-28-26(29-23)25(32)22-10-7-17-30(22)24(31)16-13-19-11-14-21(15-12-19)20-8-5-4-6-9-20/h4-6,8-9,11-12,14-15,18,22H,7,10,13,16-17H2,1-3H3,(H,28,29)/t22-/m0/s1
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MMDB

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Similars

Article
PubMed
n/an/a 2.10E+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