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BDBM50168275 1-{4-[(S)-3-Amino-4-((S)-2-cyano-pyrrolidin-1-yl)-4-oxo-butyryl]-piperazin-1-yl}-nicotinonitrile::CHEMBL364922

SMILES: N[C@@H](CC(=O)N1CCN(CC1)[n+]1cccc(c1)C#N)C(=O)N1CCC[C@H]1C#N

InChI Key: InChIKey=NIDVIGBTBOHQNL-IRXDYDNUSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50168275   
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 VIII


(Homo sapiens (human))
BDBM50168275
PNG
(1-{4-[(S)-3-Amino-4-((S)-2-cyano-pyrrolidin-1-yl)-...)
Show SMILES N[C@@H](CC(=O)N1CCN(CC1)[n+]1cccc(c1)C#N)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C19H24N7O2/c20-12-15-3-1-5-25(14-15)24-9-7-23(8-10-24)18(27)11-17(22)19(28)26-6-2-4-16(26)13-21/h1,3,5,14,16-17H,2,4,6-11,22H2/q+1/t16-,17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 28n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibitory concentration against Dipeptidyl-peptidase 8


Bioorg Med Chem Lett 15: 3271-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.051
BindingDB Entry DOI: 10.7270/Q2RF5TJX
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4 (DPP4)


(Homo sapiens (human))
BDBM50168275
PNG
(1-{4-[(S)-3-Amino-4-((S)-2-cyano-pyrrolidin-1-yl)-...)
Show SMILES N[C@@H](CC(=O)N1CCN(CC1)[n+]1cccc(c1)C#N)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C19H24N7O2/c20-12-15-3-1-5-25(14-15)24-9-7-23(8-10-24)18(27)11-17(22)19(28)26-6-2-4-16(26)13-21/h1,3,5,14,16-17H,2,4,6-11,22H2/q+1/t16-,17-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 87n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibitory concentration against Dipeptidyl-peptidase IV [DPP-IV]


Bioorg Med Chem Lett 15: 3271-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.051
BindingDB Entry DOI: 10.7270/Q2RF5TJX
More data for this
Ligand-Target Pair