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BDBM119413 US8669252, 68

SMILES: Fc1ccc(cc1)C(NC(=O)[C@@H]1CC[C@H](C[C@H]1c1ccc(cc1)C#N)N1CCOCC1)c1ccc(F)cc1

InChI Key: InChIKey=IJXHXOIPPCMUSL-NLDZOOGBSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 119413   
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))
BDBM119413
PNG
(US8669252, 68)
Show SMILES Fc1ccc(cc1)C(NC(=O)[C@@H]1CC[C@H](C[C@H]1c1ccc(cc1)C#N)N1CCOCC1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C31H31F2N3O2/c32-25-9-5-23(6-10-25)30(24-7-11-26(33)12-8-24)35-31(37)28-14-13-27(36-15-17-38-18-16-36)19-29(28)22-3-1-21(20-34)2-4-22/h1-12,27-30H,13-19H2,(H,35,37)/t27-,28-,29+/m1/s1
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MMDB

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Similars

US Patent
n/an/a 2.90n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The potency of compounds of formula I against PrCP was determined by a fluorescence intensity kinetic assay measuring the IC50 values of PrCP inhibit...


US Patent US8669252 (2014)


BindingDB Entry DOI: 10.7270/Q2J9652X
More data for this
Ligand-Target Pair