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BDBM50335763 2-[2-(3-(R)-Aminopiperidin-1-yl)-5-(2-fluorophenyl)-6-oxo-6Hpyrimidin-1-ylmethyl]benzonitrile::CHEMBL1650416

SMILES: N[C@@H]1CCCN(C1)c1ncc(-c2ccccc2F)c(=O)n1Cc1ccccc1C#N

InChI Key: InChIKey=AFMRZNFQSKJEFO-GOSISDBHSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50335763   
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 VIII


(Homo sapiens (Human))
BDBM50335763
PNG
(2-[2-(3-(R)-Aminopiperidin-1-yl)-5-(2-fluorophenyl...)
Show SMILES N[C@@H]1CCCN(C1)c1ncc(-c2ccccc2F)c(=O)n1Cc1ccccc1C#N |r|
Show InChI InChI=1S/C23H22FN5O/c24-21-10-4-3-9-19(21)20-13-27-23(28-11-5-8-18(26)15-28)29(22(20)30)14-17-7-2-1-6-16(17)12-25/h1-4,6-7,9-10,13,18H,5,8,11,14-15,26H2/t18-/m1/s1
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Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP8


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50335763
PNG
(2-[2-(3-(R)-Aminopiperidin-1-yl)-5-(2-fluorophenyl...)
Show SMILES N[C@@H]1CCCN(C1)c1ncc(-c2ccccc2F)c(=O)n1Cc1ccccc1C#N |r|
Show InChI InChI=1S/C23H22FN5O/c24-21-10-4-3-9-19(21)20-13-27-23(28-11-5-8-18(26)15-28)29(22(20)30)14-17-7-2-1-6-16(17)12-25/h1-4,6-7,9-10,13,18H,5,8,11,14-15,26H2/t18-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 240n/an/an/an/an/an/a



Takeda San Diego, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


J Med Chem 54: 510-24 (2011)


Article DOI: 10.1021/jm101016w
BindingDB Entry DOI: 10.7270/Q24X5828
More data for this
Ligand-Target Pair