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2 similar compounds to monomer 50003987

Compile data set for download or QSAR
Wt: 342.3
BDBM50003988
Wt: 317.3
BDBM50003972

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50003988,50003972   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50003988
PNG
(CHEMBL3236109)
Show SMILES NC[C@H]1CN(C(=O)C[C@@H]1c1cc(F)ccc1F)c1ccc(nc1)C#N
Show InChI InChI=1S/C18H16F2N4O/c19-12-1-4-17(20)16(5-12)15-6-18(25)24(10-11(15)7-21)14-3-2-13(8-22)23-9-14/h1-5,9,11,15H,6-7,10,21H2/t11-,15-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 404n/an/an/an/an/an/a



M.S. University of Baroda

Curated by ChEMBL


Assay Description
Inhibition of human DPP-4 expressed in baculovirus expression system using H-Gly-Pro-AMC as substrate after 30 mins by fluorometric analysis


Bioorg Med Chem Lett 24: 1918-22 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.009
BindingDB Entry DOI: 10.7270/Q2G73G7F
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50003972
PNG
(CHEMBL3236106)
Show SMILES NC[C@H]1CN(C(=O)C[C@@H]1c1cc(F)ccc1F)c1cccnc1
Show InChI InChI=1S/C17H17F2N3O/c18-12-3-4-16(19)15(6-12)14-7-17(23)22(10-11(14)8-20)13-2-1-5-21-9-13/h1-6,9,11,14H,7-8,10,20H2/t11-,14-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.39E+3n/an/an/an/an/an/a



M.S. University of Baroda

Curated by ChEMBL


Assay Description
Inhibition of human DPP-4 expressed in baculovirus expression system using H-Gly-Pro-AMC as substrate after 30 mins by fluorometric analysis


Bioorg Med Chem Lett 24: 1918-22 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.009
BindingDB Entry DOI: 10.7270/Q2G73G7F
More data for this
Ligand-Target Pair