new BindingDB logo
myBDB logout

BDBM50243649 (2S,4S)-1-((2S,3R)-2-amino-3-methylpentanoyl)-4-azidopyrrolidine-2-carbonitrile::CHEMBL471547

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

InChI Key: InChIKey=QZBJOAGVNBRVQF-KATARQTJSA-N

Data: 4 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 4 hits for monomerid = 50243649   
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))
BDBM50243649
PNG
((2S,4S)-1-((2S,3R)-2-amino-3-methylpentanoyl)-4-az...)
Show SMILES CC[C@@H](C)[C@H](N)C(=O)N1C[C@H](C[C@H]1C#N)N=[N+]=[N-] |r|
Show InChI InChI=1S/C11H18N6O/c1-3-7(2)10(13)11(18)17-6-8(15-16-14)4-9(17)5-12/h7-10H,3-4,6,13H2,1-2H3/t7-,8+,9+,10+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.30n/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 VIII


(Homo sapiens (Human))
BDBM50243649
PNG
((2S,4S)-1-((2S,3R)-2-amino-3-methylpentanoyl)-4-az...)
Show SMILES CC[C@@H](C)[C@H](N)C(=O)N1C[C@H](C[C@H]1C#N)N=[N+]=[N-] |r|
Show InChI InChI=1S/C11H18N6O/c1-3-7(2)10(13)11(18)17-6-8(15-16-14)4-9(17)5-12/h7-10H,3-4,6,13H2,1-2H3/t7-,8+,9+,10+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11n/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))
BDBM50243649
PNG
((2S,4S)-1-((2S,3R)-2-amino-3-methylpentanoyl)-4-az...)
Show SMILES CC[C@@H](C)[C@H](N)C(=O)N1C[C@H](C[C@H]1C#N)N=[N+]=[N-] |r|
Show InChI InChI=1S/C11H18N6O/c1-3-7(2)10(13)11(18)17-6-8(15-16-14)4-9(17)5-12/h7-10H,3-4,6,13H2,1-2H3/t7-,8+,9+,10+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 290n/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
Dipeptidyl peptidase 2 (DPP II)


(Homo sapiens (Human))
BDBM50243649
PNG
((2S,4S)-1-((2S,3R)-2-amino-3-methylpentanoyl)-4-az...)
Show SMILES CC[C@@H](C)[C@H](N)C(=O)N1C[C@H](C[C@H]1C#N)N=[N+]=[N-] |r|
Show InChI InChI=1S/C11H18N6O/c1-3-7(2)10(13)11(18)17-6-8(15-16-14)4-9(17)5-12/h7-10H,3-4,6,13H2,1-2H3/t7-,8+,9+,10+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.40E+4n/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