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PDB code 3CCC

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dipeptidyl peptidase II and dipeptidyl peptidase IV (DPP2 and DPP4)

  (728/728 = 100%)
(Homo sapiens (Human))
BDBM50375237
PNG
(CHEMBL272114)
Show SMILES Cn1cnc2cc(C#N)c(c(CN)c12)-c1ccccc1Cl
Show InChI InChI=1S/C16H13ClN4/c1-21-9-20-14-6-10(7-18)15(12(8-19)16(14)21)11-4-2-3-5-13(11)17/h2-6,9H,8,19H2,1H3
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n/an/a 8n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of dipeptidyl peptidase 4 (unknown origin)


Citation and Details

BindingDB Entry DOI: 10.7270/Q2HH6NZ4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dipeptidyl peptidase 4

  (728/728 = 100%)
(Homo sapiens (Human))
BDBM50375237
PNG
(CHEMBL272114)
Show SMILES Cn1cnc2cc(C#N)c(c(CN)c12)-c1ccccc1Cl
Show InChI InChI=1S/C16H13ClN4/c1-21-9-20-14-6-10(7-18)15(12(8-19)16(14)21)11-4-2-3-5-13(11)17/h2-6,9H,8,19H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

MMDB
PDB
Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Takeda California Inc

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem Lett 18: 2362-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.071
BindingDB Entry DOI: 10.7270/Q29P32GJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output