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BDBM50335786 6-[3-(R)-Aminopiperidin-1-yl]-1-(2-chloro-5-fluorobenzyl)-3-methyl-1H-pyrimidine-2,4-dione::CHEMBL1650441

SMILES: Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2cc(F)ccc2Cl)c1=O

InChI Key: InChIKey=GZBQHUMIMKAYHA-CYBMUJFWSA-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 = 50335786   
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))
BDBM50335786
PNG
(6-[3-(R)-Aminopiperidin-1-yl]-1-(2-chloro-5-fluoro...)
Show SMILES Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2cc(F)ccc2Cl)c1=O |r|
Show InChI InChI=1S/C17H20ClFN4O2/c1-21-16(24)8-15(22-6-2-3-13(20)10-22)23(17(21)25)9-11-7-12(19)4-5-14(11)18/h4-5,7-8,13H,2-3,6,9-10,20H2,1H3/t13-/m1/s1
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PC cid
PC sid
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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))
BDBM50335786
PNG
(6-[3-(R)-Aminopiperidin-1-yl]-1-(2-chloro-5-fluoro...)
Show SMILES Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2cc(F)ccc2Cl)c1=O |r|
Show InChI InChI=1S/C17H20ClFN4O2/c1-21-16(24)8-15(22-6-2-3-13(20)10-22)23(17(21)25)9-11-7-12(19)4-5-14(11)18/h4-5,7-8,13H,2-3,6,9-10,20H2,1H3/t13-/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 14n/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