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BDBM50243687 CHEMBL471747::benzyl (S)-5-amino-6-((2S,4S)-4-azido-2-cyanopyrrolidin-1-yl)-6-oxohexylcarbamate

SMILES: N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N1C[C@H](C[C@H]1C#N)N=[N+]=[N-]

InChI Key: InChIKey=QAXBLMRSELOUNT-ULQDDVLXSA-N

Data: 3 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 3 hits for monomerid = 50243687   
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 2 (DPP II)


(Homo sapiens (Human))
BDBM50243687
PNG
(CHEMBL471747 | benzyl (S)-5-amino-6-((2S,4S)-4-azi...)
Show SMILES N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N1C[C@H](C[C@H]1C#N)N=[N+]=[N-] |r|
Show InChI InChI=1S/C19H25N7O3/c20-11-16-10-15(24-25-22)12-26(16)18(27)17(21)8-4-5-9-23-19(28)29-13-14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-10,12-13,21H2,(H,23,28)/t15-,16-,17-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 350n/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 VIII


(Homo sapiens (Human))
BDBM50243687
PNG
(CHEMBL471747 | benzyl (S)-5-amino-6-((2S,4S)-4-azi...)
Show SMILES N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N1C[C@H](C[C@H]1C#N)N=[N+]=[N-] |r|
Show InChI InChI=1S/C19H25N7O3/c20-11-16-10-15(24-25-22)12-26(16)18(27)17(21)8-4-5-9-23-19(28)29-13-14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-10,12-13,21H2,(H,23,28)/t15-,16-,17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 21n/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))
BDBM50243687
PNG
(CHEMBL471747 | benzyl (S)-5-amino-6-((2S,4S)-4-azi...)
Show SMILES N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N1C[C@H](C[C@H]1C#N)N=[N+]=[N-] |r|
Show InChI InChI=1S/C19H25N7O3/c20-11-16-10-15(24-25-22)12-26(16)18(27)17(21)8-4-5-9-23-19(28)29-13-14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-10,12-13,21H2,(H,23,28)/t15-,16-,17-/m0/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 530n/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