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BDBM50243690 (2S,4S)-1-((S)-2-amino-6-(naphthalen-2-ylamino)hexanoyl)-4-azidopyrrolidine-2-carbonitrile::CHEMBL472128

SMILES: N[C@@H](CCCCNc1ccc2ccccc2c1)C(=O)N1C[C@H](C[C@H]1C#N)N=[N+]=[N-]

InChI Key: InChIKey=JRGWJCOGZPLJDY-UFYCRDLUSA-N

Data: 4 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50243690   
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))
BDBM50243690
PNG
((2S,4S)-1-((S)-2-amino-6-(naphthalen-2-ylamino)hex...)
Show SMILES N[C@@H](CCCCNc1ccc2ccccc2c1)C(=O)N1C[C@H](C[C@H]1C#N)N=[N+]=[N-] |r|
Show InChI InChI=1S/C21H25N7O/c22-13-19-12-18(26-27-24)14-28(19)21(29)20(23)7-3-4-10-25-17-9-8-15-5-1-2-6-16(15)11-17/h1-2,5-6,8-9,11,18-20,25H,3-4,7,10,12,14,23H2/t18-,19-,20-/m0/s1
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PC cid
PC sid
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Article
PubMed
n/an/a 34n/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 9


(Homo sapiens (Human))
BDBM50243690
PNG
((2S,4S)-1-((S)-2-amino-6-(naphthalen-2-ylamino)hex...)
Show SMILES N[C@@H](CCCCNc1ccc2ccccc2c1)C(=O)N1C[C@H](C[C@H]1C#N)N=[N+]=[N-] |r|
Show InChI InChI=1S/C21H25N7O/c22-13-19-12-18(26-27-24)14-28(19)21(29)20(23)7-3-4-10-25-17-9-8-15-5-1-2-6-16(15)11-17/h1-2,5-6,8-9,11,18-20,25H,3-4,7,10,12,14,23H2/t18-,19-,20-/m0/s1
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PC sid
UniChem

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Article
PubMed
n/an/a 4.60n/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))
BDBM50243690
PNG
((2S,4S)-1-((S)-2-amino-6-(naphthalen-2-ylamino)hex...)
Show SMILES N[C@@H](CCCCNc1ccc2ccccc2c1)C(=O)N1C[C@H](C[C@H]1C#N)N=[N+]=[N-] |r|
Show InChI InChI=1S/C21H25N7O/c22-13-19-12-18(26-27-24)14-28(19)21(29)20(23)7-3-4-10-25-17-9-8-15-5-1-2-6-16(15)11-17/h1-2,5-6,8-9,11,18-20,25H,3-4,7,10,12,14,23H2/t18-,19-,20-/m0/s1
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Article
PubMed
n/an/a 13.8n/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))
BDBM50243690
PNG
((2S,4S)-1-((S)-2-amino-6-(naphthalen-2-ylamino)hex...)
Show SMILES N[C@@H](CCCCNc1ccc2ccccc2c1)C(=O)N1C[C@H](C[C@H]1C#N)N=[N+]=[N-] |r|
Show InChI InChI=1S/C21H25N7O/c22-13-19-12-18(26-27-24)14-28(19)21(29)20(23)7-3-4-10-25-17-9-8-15-5-1-2-6-16(15)11-17/h1-2,5-6,8-9,11,18-20,25H,3-4,7,10,12,14,23H2/t18-,19-,20-/m0/s1
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Article
PubMed
n/an/a 560n/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