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BDBM50394237 CHEMBL2159182

SMILES: Cn1c2nc(N)c(CN)c(-c3ccccc3Br)c2c(=O)n(C)c1=O

InChI Key: InChIKey=JGBNONXELAWFNR-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50394237   
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))
BDBM50394237
PNG
(CHEMBL2159182)
Show SMILES Cn1c2nc(N)c(CN)c(-c3ccccc3Br)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C16H16BrN5O2/c1-21-14-12(15(23)22(2)16(21)24)11(9(7-18)13(19)20-14)8-5-3-4-6-10(8)17/h3-6H,7,18H2,1-2H3,(H2,19,20)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of DPP8


Bioorg Med Chem Lett 22: 6628-31 (2012)

More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50394237
PNG
(CHEMBL2159182)
Show SMILES Cn1c2nc(N)c(CN)c(-c3ccccc3Br)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C16H16BrN5O2/c1-21-14-12(15(23)22(2)16(21)24)11(9(7-18)13(19)20-14)8-5-3-4-6-10(8)17/h3-6H,7,18H2,1-2H3,(H2,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Inhibition of DPP4


Bioorg Med Chem Lett 22: 6628-31 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)