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BDBM50243650 (2S,4S)-4-azido-1-((S)-2,6-diaminohexanoyl)pyrrolidine-2-carbonitrile::CHEMBL471731

SMILES: NCCCC[C@H](N)C(=O)N1C[C@H](C[C@H]1C#N)N=[N+]=[N-]

InChI Key: InChIKey=IQDBJMFMTDQDMI-GUBZILKMSA-N

Data: 5 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 5 hits for monomerid = 50243650   
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 9


(Homo sapiens (Human))
BDBM50243650
PNG
((2S,4S)-4-azido-1-((S)-2,6-diaminohexanoyl)pyrroli...)
Show SMILES NCCCC[C@H](N)C(=O)N1C[C@H](C[C@H]1C#N)N=[N+]=[N-] |r|
Show InChI InChI=1S/C11H19N7O/c12-4-2-1-3-10(14)11(19)18-7-8(16-17-15)5-9(18)6-13/h8-10H,1-5,7,12,14H2/t8-,9-,10-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 25n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of DPP9 (unknown origin)


Bioorg Med Chem Lett 18: 4154-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.080
BindingDB Entry DOI: 10.7270/Q2G160N3
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50243650
PNG
((2S,4S)-4-azido-1-((S)-2,6-diaminohexanoyl)pyrroli...)
Show SMILES NCCCC[C@H](N)C(=O)N1C[C@H](C[C@H]1C#N)N=[N+]=[N-] |r|
Show InChI InChI=1S/C11H19N7O/c12-4-2-1-3-10(14)11(19)18-7-8(16-17-15)5-9(18)6-13/h8-10H,1-5,7,12,14H2/t8-,9-,10-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 310n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of DPP2 (unknown origin)


Bioorg Med Chem Lett 18: 4154-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.080
BindingDB Entry DOI: 10.7270/Q2G160N3
More data for this
Ligand-Target Pair
Dipeptidyl peptidase IV


(Porphyromonas gingivalis)
BDBM50243650
PNG
((2S,4S)-4-azido-1-((S)-2,6-diaminohexanoyl)pyrroli...)
Show SMILES NCCCC[C@H](N)C(=O)N1C[C@H](C[C@H]1C#N)N=[N+]=[N-] |r|
Show InChI InChI=1S/C11H19N7O/c12-4-2-1-3-10(14)11(19)18-7-8(16-17-15)5-9(18)6-13/h8-10H,1-5,7,12,14H2/t8-,9-,10-/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 330n/an/an/an/an/an/a



University of Warwick

Curated by ChEMBL


Assay Description
Inhibition of Porphyromonas gingivalis N-terminal His-tagged DPP4 expressed in Escherichia coli using Gly-Pro-p-nitroanilide as substrate


Eur J Med Chem 139: 482-491 (2017)


Article DOI: 10.1016/j.ejmech.2017.08.024
BindingDB Entry DOI: 10.7270/Q25B050P
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50243650
PNG
((2S,4S)-4-azido-1-((S)-2,6-diaminohexanoyl)pyrroli...)
Show SMILES NCCCC[C@H](N)C(=O)N1C[C@H](C[C@H]1C#N)N=[N+]=[N-] |r|
Show InChI InChI=1S/C11H19N7O/c12-4-2-1-3-10(14)11(19)18-7-8(16-17-15)5-9(18)6-13/h8-10H,1-5,7,12,14H2/t8-,9-,10-/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 71n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of DPP8 (unknown origin)


Bioorg Med Chem Lett 18: 4154-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.080
BindingDB Entry DOI: 10.7270/Q2G160N3
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50243650
PNG
((2S,4S)-4-azido-1-((S)-2,6-diaminohexanoyl)pyrroli...)
Show SMILES NCCCC[C@H](N)C(=O)N1C[C@H](C[C@H]1C#N)N=[N+]=[N-] |r|
Show InChI InChI=1S/C11H19N7O/c12-4-2-1-3-10(14)11(19)18-7-8(16-17-15)5-9(18)6-13/h8-10H,1-5,7,12,14H2/t8-,9-,10-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of DPP4 (unknown origin)


Bioorg Med Chem Lett 18: 4154-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.080
BindingDB Entry DOI: 10.7270/Q2G160N3
More data for this
Ligand-Target Pair