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BDBM50462415 CHEMBL4250492

SMILES: N[C@@H](CCn1cc(nn1)-c1ccncc1)Cc1cc(F)c(F)cc1F

InChI Key: InChIKey=WKHKVNIKWXCMHW-ZDUSSCGKSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   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 = 50462415   
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 4


(Homo sapiens (Human))
BDBM50462415
PNG
(CHEMBL4250492)
Show SMILES N[C@@H](CCn1cc(nn1)-c1ccncc1)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C17H16F3N5/c18-14-9-16(20)15(19)8-12(14)7-13(21)3-6-25-10-17(23-24-25)11-1-4-22-5-2-11/h1-2,4-5,8-10,13H,3,6-7,21H2/t13-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
n/an/a 14n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50462415
PNG
(CHEMBL4250492)
Show SMILES N[C@@H](CCn1cc(nn1)-c1ccncc1)Cc1cc(F)c(F)cc1F |r|
Show InChI InChI=1S/C17H16F3N5/c18-14-9-16(20)15(19)8-12(14)7-13(21)3-6-25-10-17(23-24-25)11-1-4-22-5-2-11/h1-2,4-5,8-10,13H,3,6-7,21H2/t13-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DPP4 using Gly-Pro-AMC as substrate after 1 hr by fluorescence assay


Eur J Med Chem 151: 145-157 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.041
BindingDB Entry DOI: 10.7270/Q2CZ39SV
More data for this
Ligand-Target Pair