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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Dipeptidyl peptidase 4' and Ligand = 'BDBM50388122'   
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 4


(Homo sapiens (Human))
BDBM50388122
PNG
(CHEMBL2058761)
Show SMILES Clc1ccc2nc([nH]c2c1)N1CCN(CC1)[C@@H]1CN[C@@H](C1)C(=O)N1CCSC1 |r|
Show InChI InChI=1S/C19H25ClN6OS/c20-13-1-2-15-16(9-13)23-19(22-15)25-5-3-24(4-6-25)14-10-17(21-11-14)18(27)26-7-8-28-12-26/h1-2,9,14,17,21H,3-8,10-12H2,(H,22,23)/t14-,17-/m0/s1
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PC cid
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Article
PubMed
n/an/a 0.590n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 using Gly-Pro-MCA as substrate after 60 mins by fluorometry


Bioorg Med Chem 20: 5033-41 (2012)


Article DOI: 10.1016/j.bmc.2012.06.033
BindingDB Entry DOI: 10.7270/Q20Z74B2
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Rattus norvegicus (rat))
BDBM50388122
PNG
(CHEMBL2058761)
Show SMILES Clc1ccc2nc([nH]c2c1)N1CCN(CC1)[C@@H]1CN[C@@H](C1)C(=O)N1CCSC1 |r|
Show InChI InChI=1S/C19H25ClN6OS/c20-13-1-2-15-16(9-13)23-19(22-15)25-5-3-24(4-6-25)14-10-17(21-11-14)18(27)26-7-8-28-12-26/h1-2,9,14,17,21H,3-8,10-12H2,(H,22,23)/t14-,17-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.03n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of rat DPP4 using Gly-Pro-MCA as substrate after 60 mins by fluorometry


Bioorg Med Chem 20: 5033-41 (2012)


Article DOI: 10.1016/j.bmc.2012.06.033
BindingDB Entry DOI: 10.7270/Q20Z74B2
More data for this
Ligand-Target Pair