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BDBM50168279 (S)-3-Amino-4-((S)-2-cyano-pyrrolidin-1-yl)-N-[2-(3,4-dimethoxy-phenyl)-ethyl]-4-oxo-butyramide::CHEMBL191577

SMILES: COc1ccc(CCNC(=O)C[C@H](N)C(=O)N2CCC[C@H]2C#N)cc1OC

InChI Key: InChIKey=HJMXMWNMTNQTDK-GJZGRUSLSA-N

Data: 2 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 2 hits for monomerid = 50168279   
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))
BDBM50168279
PNG
((S)-3-Amino-4-((S)-2-cyano-pyrrolidin-1-yl)-N-[2-(...)
Show SMILES COc1ccc(CCNC(=O)C[C@H](N)C(=O)N2CCC[C@H]2C#N)cc1OC
Show InChI InChI=1S/C19H26N4O4/c1-26-16-6-5-13(10-17(16)27-2)7-8-22-18(24)11-15(21)19(25)23-9-3-4-14(23)12-20/h5-6,10,14-15H,3-4,7-9,11,21H2,1-2H3,(H,22,24)/t14-,15-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 177n/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


(Homo sapiens (Human))
BDBM50168279
PNG
((S)-3-Amino-4-((S)-2-cyano-pyrrolidin-1-yl)-N-[2-(...)
Show SMILES COc1ccc(CCNC(=O)C[C@H](N)C(=O)N2CCC[C@H]2C#N)cc1OC
Show InChI InChI=1S/C19H26N4O4/c1-26-16-6-5-13(10-17(16)27-2)7-8-22-18(24)11-15(21)19(25)23-9-3-4-14(23)12-20/h5-6,10,14-15H,3-4,7-9,11,21H2,1-2H3,(H,22,24)/t14-,15-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 116n/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