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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 = 'BDBM50388123'   
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))
BDBM50388123
PNG
(CHEMBL2058762)
Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1nc2ccc(cc2[nH]1)C#N)N1CCSC1 |r|
Show InChI InChI=1S/C20H25N7OS/c21-11-14-1-2-16-17(9-14)24-20(23-16)26-5-3-25(4-6-26)15-10-18(22-12-15)19(28)27-7-8-29-13-27/h1-2,9,15,18,22H,3-8,10,12-13H2,(H,23,24)/t15-,18-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 0.390n/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))
BDBM50388123
PNG
(CHEMBL2058762)
Show SMILES O=C([C@@H]1C[C@@H](CN1)N1CCN(CC1)c1nc2ccc(cc2[nH]1)C#N)N1CCSC1 |r|
Show InChI InChI=1S/C20H25N7OS/c21-11-14-1-2-16-17(9-14)24-20(23-16)26-5-3-25(4-6-26)15-10-18(22-12-15)19(28)27-7-8-29-13-27/h1-2,9,15,18,22H,3-8,10,12-13H2,(H,23,24)/t15-,18-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.610n/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