BindingDB logo
myBDB logout

null

SMILES: COc1nn(Cc2nc(C)cc3ccccc23)c(=O)c2n(CC#CC)c(nc12)N1CCCC(N)C1

InChI Key: InChIKey=RIWBFIGRXDQHHP-UHFFFAOYSA-N

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 1 hit for monomerid = 50376998   
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))		BDBM50376998
PNG
(CHEMBL255862)
Show SMILES COc1nn(Cc2nc(C)cc3ccccc23)c(=O)c2n(CC#CC)c(nc12)N1CCCC(N)C1 |w:32.36|
Show InChI InChI=1S/C26H29N7O2/c1-4-5-13-32-23-22(29-26(32)31-12-8-10-19(27)15-31)24(35-3)30-33(25(23)34)16-21-20-11-7-6-9-18(20)14-17(2)28-21/h6-7,9,11,14,19H,8,10,12-13,15-16,27H2,1-3H3
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 19n/an/an/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in human Caco-2 cells after 1 hr

Bioorg Med Chem Lett 18: 3158-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.075
BindingDB Entry DOI: 10.7270/Q2ZP470M
More data for this
Ligand-Target Pair