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BDBM50335773 2[2-(3-(R)-Aminopiperidin-1-yl)-5-bromo-4-methyl-6-oxo-6Hpyrimidin-1-ylmethyl]benzonitrile::CHEMBL1650406

SMILES: Cc1nc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c(=O)c1Br

InChI Key: InChIKey=AMZMBZIGYXTGGJ-OAHLLOKOSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50335773   
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))
BDBM50335773
PNG
(2[2-(3-(R)-Aminopiperidin-1-yl)-5-bromo-4-methyl-6...)
Show SMILES Cc1nc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c(=O)c1Br |r|
Show InChI InChI=1S/C18H20BrN5O/c1-12-16(19)17(25)24(10-14-6-3-2-5-13(14)9-20)18(22-12)23-8-4-7-15(21)11-23/h2-3,5-6,15H,4,7-8,10-11,21H2,1H3/t15-/m1/s1
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UniProtKB/SwissProt
UniProtKB/TrEMBL

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


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))
BDBM50335773
PNG
(2[2-(3-(R)-Aminopiperidin-1-yl)-5-bromo-4-methyl-6...)
Show SMILES Cc1nc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c(=O)c1Br |r|
Show InChI InChI=1S/C18H20BrN5O/c1-12-16(19)17(25)24(10-14-6-3-2-5-13(14)9-20)18(22-12)23-8-4-7-15(21)11-23/h2-3,5-6,15H,4,7-8,10-11,21H2,1H3/t15-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 8n/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