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BDBM50361788 CHEMBL1938524

SMILES: Cc1cc(ccn1)C(NC(=O)CCN1CCC(CC1)c1ccccc1)c1ccc(Cl)cc1

InChI Key: InChIKey=NBCDNJZNVVYLHH-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50361788   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prolylcarboxypeptidase (PRCP)


(Homo sapiens (Human))
BDBM50361788
PNG
(CHEMBL1938524)
Show SMILES Cc1cc(ccn1)C(NC(=O)CCN1CCC(CC1)c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H30ClN3O/c1-20-19-24(11-15-29-20)27(23-7-9-25(28)10-8-23)30-26(32)14-18-31-16-12-22(13-17-31)21-5-3-2-4-6-21/h2-11,15,19,22,27H,12-14,16-18H2,1H3,(H,30,32)
PDB
MMDB

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Similars

Article
PubMed
n/an/a 2.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PrCP using Mca-Ala-Pro-Lys(Dnp)-OH as substrate measured for 30 mins by continuous fluorometric assay


Bioorg Med Chem Lett 22: 658-65 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.060
BindingDB Entry DOI: 10.7270/Q2B56K50
More data for this
Ligand-Target Pair