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BDBM50338035 (S)-1-(2-(5,6-dichloro-1H-benzo[d]imidazol-2-yl)pyrrolidin-1-yl)-3-(4-(1-ethyl-3-(pyridin-4-yl)-1H-pyrazol-5-yl)piperidin-1-yl)propan-1-one::CHEMBL1684305

SMILES: CCn1nc(cc1C1CCN(CCC(=O)N2CCC[C@H]2c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1)-c1ccncc1

InChI Key: InChIKey=JVQXOLQYNONDLF-SANMLTNESA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50338035   
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))
BDBM50338035
PNG
((S)-1-(2-(5,6-dichloro-1H-benzo[d]imidazol-2-yl)py...)
Show SMILES CCn1nc(cc1C1CCN(CCC(=O)N2CCC[C@H]2c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1)-c1ccncc1 |r|
Show InChI InChI=1S/C29H33Cl2N7O/c1-2-38-27(18-23(35-38)19-5-10-32-11-6-19)20-7-13-36(14-8-20)15-9-28(39)37-12-3-4-26(37)29-33-24-16-21(30)22(31)17-25(24)34-29/h5-6,10-11,16-18,20,26H,2-4,7-9,12-15H2,1H3,(H,33,34)/t26-/m0/s1
PDB
MMDB

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Similars

Article
PubMed
n/an/a 4.70n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PrCP


Bioorg Med Chem Lett 21: 1299-305 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.090
BindingDB Entry DOI: 10.7270/Q2VX0GSS
More data for this
Ligand-Target Pair