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SMILES: N[C@@H]([C@H]1CC[C@@H](CC1)NC(=O)OCc1ccccc1)C(=O)N1C[C@@H](F)[C@H](F)C1

InChI Key: InChIKey=PKKRAIPZCYLNRN-ZKXLYKBJSA-N

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50140532   
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
Dipeptidyl peptidase 2


(Homo sapiens (Human))
BDBM50140532
PNG
(CHEMBL416008 | {4-[(S)-1-Amino-2-((3R,4R)-3,4-difl...)
Show SMILES N[C@@H]([C@H]1CC[C@@H](CC1)NC(=O)OCc1ccccc1)C(=O)N1C[C@@H](F)[C@H](F)C1 |wU:5.8,1.0,25.27,wD:2.7,23.25,(4.17,-4.08,;4.17,-2.53,;2.84,-1.76,;2.84,-.21,;1.5,.56,;.17,-.21,;.17,-1.76,;1.5,-2.53,;-1.18,.58,;-2.52,-.17,;-2.52,-1.74,;-3.85,.58,;-5.19,-.17,;-6.54,.58,;-7.87,-.17,;-9.21,.58,;-9.21,2.14,;-7.87,2.91,;-6.54,2.14,;5.5,-1.76,;5.5,-.21,;6.85,-2.53,;7.18,-4.05,;8.71,-4.19,;9.48,-5.56,;9.34,-2.81,;10.87,-2.51,;8.19,-1.76,)|
Show InChI InChI=1S/C20H27F2N3O3/c21-16-10-25(11-17(16)22)19(26)18(23)14-6-8-15(9-7-14)24-20(27)28-12-13-4-2-1-3-5-13/h1-5,14-18H,6-12,23H2,(H,24,27)/t14-,15-,16-,17-,18+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human quiescent cell proline dipeptidase (QPP) enzyme


Bioorg Med Chem Lett 14: 1265-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.040
BindingDB Entry DOI: 10.7270/Q2G73D5Q
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50140532
PNG
(CHEMBL416008 | {4-[(S)-1-Amino-2-((3R,4R)-3,4-difl...)
Show SMILES N[C@@H]([C@H]1CC[C@@H](CC1)NC(=O)OCc1ccccc1)C(=O)N1C[C@@H](F)[C@H](F)C1 |wU:5.8,1.0,25.27,wD:2.7,23.25,(4.17,-4.08,;4.17,-2.53,;2.84,-1.76,;2.84,-.21,;1.5,.56,;.17,-.21,;.17,-1.76,;1.5,-2.53,;-1.18,.58,;-2.52,-.17,;-2.52,-1.74,;-3.85,.58,;-5.19,-.17,;-6.54,.58,;-7.87,-.17,;-9.21,.58,;-9.21,2.14,;-7.87,2.91,;-6.54,2.14,;5.5,-1.76,;5.5,-.21,;6.85,-2.53,;7.18,-4.05,;8.71,-4.19,;9.48,-5.56,;9.34,-2.81,;10.87,-2.51,;8.19,-1.76,)|
Show InChI InChI=1S/C20H27F2N3O3/c21-16-10-25(11-17(16)22)19(26)18(23)14-6-8-15(9-7-14)24-20(27)28-12-13-4-2-1-3-5-13/h1-5,14-18H,6-12,23H2,(H,24,27)/t14-,15-,16-,17-,18+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 360n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Dipeptidyl-peptidase IV


Bioorg Med Chem Lett 14: 1265-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.040
BindingDB Entry DOI: 10.7270/Q2G73D5Q
More data for this
Ligand-Target Pair