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BDBM50150854 6-(2-(2-(5-cyano-4,5-dihydro-1H-pyrazol-1-yl)-2-oxoethylamino)ethylamino)nicotinonitrile::6-{2-[2-(5-Cyano-4,5-dihydro-pyrazol-1-yl)-2-oxo-ethylamino]-ethylamino}-nicotinonitrile::CHEMBL184651::KR-62436

SMILES: O=C(CNCCNc1ccc(cn1)C#N)N1N=CCC1C#N

InChI Key: InChIKey=XNYVGGJJENHRBZ-UHFFFAOYSA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50150854   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM50150854
PNG
(6-(2-(2-(5-cyano-4,5-dihydro-1H-pyrazol-1-yl)-2-ox...)
Show SMILES O=C(CNCCNc1ccc(cn1)C#N)N1N=CCC1C#N |c:17|
Show InChI InChI=1S/C14H15N7O/c15-7-11-1-2-13(19-9-11)18-6-5-17-10-14(22)21-12(8-16)3-4-20-21/h1-2,4,9,12,17H,3,5-6,10H2,(H,18,19)
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n/an/a 960n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against dipeptidyl peptidase IV of porcine kidney


Bioorg Med Chem Lett 14: 4461-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.046
BindingDB Entry DOI: 10.7270/Q2J9674N
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50150854
PNG
(6-(2-(2-(5-cyano-4,5-dihydro-1H-pyrazol-1-yl)-2-ox...)
Show SMILES O=C(CNCCNc1ccc(cn1)C#N)N1N=CCC1C#N |c:17|
Show InChI InChI=1S/C14H15N7O/c15-7-11-1-2-13(19-9-11)18-6-5-17-10-14(22)21-12(8-16)3-4-20-21/h1-2,4,9,12,17H,3,5-6,10H2,(H,18,19)
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n/an/a 410n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against dipeptidyl peptidase IV in Caco-2 cell assay


Bioorg Med Chem Lett 14: 4461-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.046
BindingDB Entry DOI: 10.7270/Q2J9674N
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50150854
PNG
(6-(2-(2-(5-cyano-4,5-dihydro-1H-pyrazol-1-yl)-2-ox...)
Show SMILES O=C(CNCCNc1ccc(cn1)C#N)N1N=CCC1C#N |c:17|
Show InChI InChI=1S/C14H15N7O/c15-7-11-1-2-13(19-9-11)18-6-5-17-10-14(22)21-12(8-16)3-4-20-21/h1-2,4,9,12,17H,3,5-6,10H2,(H,18,19)
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n/an/a 140n/an/an/an/an/an/a



Matrix Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibition of human DPP4


Bioorg Med Chem 17: 1783-802 (2009)


Article DOI: 10.1016/j.bmc.2009.01.061
BindingDB Entry DOI: 10.7270/Q2VD70DJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Rattus norvegicus (rat))
BDBM50150854
PNG
(6-(2-(2-(5-cyano-4,5-dihydro-1H-pyrazol-1-yl)-2-ox...)
Show SMILES O=C(CNCCNc1ccc(cn1)C#N)N1N=CCC1C#N |c:17|
Show InChI InChI=1S/C14H15N7O/c15-7-11-1-2-13(19-9-11)18-6-5-17-10-14(22)21-12(8-16)3-4-20-21/h1-2,4,9,12,17H,3,5-6,10H2,(H,18,19)
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n/an/a 780n/an/an/an/an/an/a



Matrix Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibition of DPP4 in rat plasma


Bioorg Med Chem 17: 1783-802 (2009)


Article DOI: 10.1016/j.bmc.2009.01.061
BindingDB Entry DOI: 10.7270/Q2VD70DJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Sus scrofa (pig))
BDBM50150854
PNG
(6-(2-(2-(5-cyano-4,5-dihydro-1H-pyrazol-1-yl)-2-ox...)
Show SMILES O=C(CNCCNc1ccc(cn1)C#N)N1N=CCC1C#N |c:17|
Show InChI InChI=1S/C14H15N7O/c15-7-11-1-2-13(19-9-11)18-6-5-17-10-14(22)21-12(8-16)3-4-20-21/h1-2,4,9,12,17H,3,5-6,10H2,(H,18,19)
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PubMed
n/an/a 490n/an/an/an/an/an/a



Matrix Laboratories Limited

Curated by ChEMBL


Assay Description
Inhibition of pig kidney DPP4


Bioorg Med Chem 17: 1783-802 (2009)


Article DOI: 10.1016/j.bmc.2009.01.061
BindingDB Entry DOI: 10.7270/Q2VD70DJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Rattus norvegicus (rat))
BDBM50150854
PNG
(6-(2-(2-(5-cyano-4,5-dihydro-1H-pyrazol-1-yl)-2-ox...)
Show SMILES O=C(CNCCNc1ccc(cn1)C#N)N1N=CCC1C#N |c:17|
Show InChI InChI=1S/C14H15N7O/c15-7-11-1-2-13(19-9-11)18-6-5-17-10-14(22)21-12(8-16)3-4-20-21/h1-2,4,9,12,17H,3,5-6,10H2,(H,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 800n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat dipeptidyl peptidase IV


Bioorg Med Chem Lett 14: 4461-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.046
BindingDB Entry DOI: 10.7270/Q2J9674N
More data for this
Ligand-Target Pair