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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 = 'BDBM107100'   
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))
BDBM107100
PNG
(US8592371, 2 | US9278976, (3S,5R)-5-{2-methanesulf...)
Show SMILES CS(=O)(=O)n1cc2CN(Cc2n1)[C@H]1COC([C@@H](N)C1)c1cc(F)c(F)cc1F
Show InChI InChI=1S/C17H19F3N4O3S/c1-28(25,26)24-6-9-5-23(7-16(9)22-24)10-2-15(21)17(27-8-10)11-3-13(19)14(20)4-12(11)18/h3-4,6,10,15,17H,2,5,7-8,21H2,1H3/t10-,15+,17?/m1/s1
PDB
MMDB

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DrugBank
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.20n/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))
BDBM107100
PNG
(US8592371, 2 | US9278976, (3S,5R)-5-{2-methanesulf...)
Show SMILES CS(=O)(=O)n1cc2CN(Cc2n1)[C@H]1COC([C@@H](N)C1)c1cc(F)c(F)cc1F
Show InChI InChI=1S/C17H19F3N4O3S/c1-28(25,26)24-6-9-5-23(7-16(9)22-24)10-2-15(21)17(27-8-10)11-3-13(19)14(20)4-12(11)18/h3-4,6,10,15,17H,2,5,7-8,21H2,1H3/t10-,15+,17?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 2.20n/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