BindingDB logo
myBDB logout

BDBM50336812 5-(Aminomethyl)-6-butyl-2-methyl-4-(4-methylphenyl)pyridine-3-carboxylic Acid Dihydrochloride::CHEMBL1672119

SMILES: CCCCc1nc(C)c(C(O)=O)c(-c2ccc(C)cc2)c1CN

InChI Key: InChIKey=FYVXLNWLILHTBP-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50336812   
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 II


(Rattus norvegicus)
BDBM50336812
PNG
(5-(Aminomethyl)-6-butyl-2-methyl-4-(4-methylphenyl...)
Show SMILES CCCCc1nc(C)c(C(O)=O)c(-c2ccc(C)cc2)c1CN
Show InChI InChI=1S/C19H24N2O2/c1-4-5-6-16-15(11-20)18(14-9-7-12(2)8-10-14)17(19(22)23)13(3)21-16/h7-10H,4-6,11,20H2,1-3H3,(H,22,23)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of rat kidney DPP2 after 60 mins


J Med Chem 54: 831-50 (2012)


Article DOI: 10.1021/jm101236h
BindingDB Entry DOI: 10.7270/Q2QR4Z4M
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50336812
PNG
(5-(Aminomethyl)-6-butyl-2-methyl-4-(4-methylphenyl...)
Show SMILES CCCCc1nc(C)c(C(O)=O)c(-c2ccc(C)cc2)c1CN
Show InChI InChI=1S/C19H24N2O2/c1-4-5-6-16-15(11-20)18(14-9-7-12(2)8-10-14)17(19(22)23)13(3)21-16/h7-10H,4-6,11,20H2,1-3H3,(H,22,23)
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 58n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco2 cells after 60 mins


J Med Chem 54: 831-50 (2012)


Article DOI: 10.1021/jm101236h
BindingDB Entry DOI: 10.7270/Q2QR4Z4M
More data for this
Ligand-Target Pair