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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 = 'BDBM107102'   
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))
BDBM107102
PNG
(US8592371, 4 | US9278976, (3S,5R)-5-[2-(cyclopenta...)
Show SMILES N[C@H]1C[C@H](COC1c1cc(F)ccc1F)N1Cc2cn(nc2C1)S(=O)(=O)C1CCCC1
Show InChI InChI=1S/C21H26F2N4O3S/c22-14-5-6-18(23)17(7-14)21-19(24)8-15(12-30-21)26-9-13-10-27(25-20(13)11-26)31(28,29)16-3-1-2-4-16/h5-7,10,15-16,19,21H,1-4,8-9,11-12,24H2/t15-,19+,21?/m1/s1
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.60n/an/an/an/a7.525



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A continuous fluorometric assay is employed with the substrate Gly-Pro-AMC, which is cleaved by DPP-4 to release the fluorescent AMC leaving group. T...


US Patent US9278976 (2016)


BindingDB Entry DOI: 10.7270/Q2PC316V
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM107102
PNG
(US8592371, 4 | US9278976, (3S,5R)-5-[2-(cyclopenta...)
Show SMILES N[C@H]1C[C@H](COC1c1cc(F)ccc1F)N1Cc2cn(nc2C1)S(=O)(=O)C1CCCC1
Show InChI InChI=1S/C21H26F2N4O3S/c22-14-5-6-18(23)17(7-14)21-19(24)8-15(12-30-21)26-9-13-10-27(25-20(13)11-26)31(28,29)16-3-1-2-4-16/h5-7,10,15-16,19,21H,1-4,8-9,11-12,24H2/t15-,19+,21?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.60n/an/an/an/an/an/a



Merck Sharpe & Dohme Corp.

US Patent


Assay Description
Enzyme assay using dipeptidyl peptidase-IV.


US Patent US8592371 (2013)


BindingDB Entry DOI: 10.7270/Q2DF6PVK
More data for this
Ligand-Target Pair