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BDBM50243187 (S)-2-amino-1-(isoindolin-2-yl)-6-(naphthalen-2-ylamino)hexan-1-one::CHEMBL487872

SMILES: N[C@@H](CCCCNc1ccc2ccccc2c1)C(=O)N1Cc2ccccc2C1

InChI Key: InChIKey=KDQVIWLGGYIZDX-QHCPKHFHSA-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 = 50243187   
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))
BDBM50243187
PNG
((S)-2-amino-1-(isoindolin-2-yl)-6-(naphthalen-2-yl...)
Show SMILES N[C@@H](CCCCNc1ccc2ccccc2c1)C(=O)N1Cc2ccccc2C1 |r|
Show InChI InChI=1S/C24H27N3O/c25-23(24(28)27-16-20-9-3-4-10-21(20)17-27)11-5-6-14-26-22-13-12-18-7-1-2-8-19(18)15-22/h1-4,7-10,12-13,15,23,26H,5-6,11,14,16-17,25H2/t23-/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 316n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of DPP2 (unknown origin)


Bioorg Med Chem Lett 18: 4159-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.079
BindingDB Entry DOI: 10.7270/Q2KS6RC4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 9


(Homo sapiens (Human))
BDBM50243187
PNG
((S)-2-amino-1-(isoindolin-2-yl)-6-(naphthalen-2-yl...)
Show SMILES N[C@@H](CCCCNc1ccc2ccccc2c1)C(=O)N1Cc2ccccc2C1 |r|
Show InChI InChI=1S/C24H27N3O/c25-23(24(28)27-16-20-9-3-4-10-21(20)17-27)11-5-6-14-26-22-13-12-18-7-1-2-8-19(18)15-22/h1-4,7-10,12-13,15,23,26H,5-6,11,14,16-17,25H2/t23-/m0/s1
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Article
PubMed
n/an/a 169n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of DPP9 (unknown origin)


Bioorg Med Chem Lett 18: 4159-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.079
BindingDB Entry DOI: 10.7270/Q2KS6RC4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase VIII


(Homo sapiens (Human))
BDBM50243187
PNG
((S)-2-amino-1-(isoindolin-2-yl)-6-(naphthalen-2-yl...)
Show SMILES N[C@@H](CCCCNc1ccc2ccccc2c1)C(=O)N1Cc2ccccc2C1 |r|
Show InChI InChI=1S/C24H27N3O/c25-23(24(28)27-16-20-9-3-4-10-21(20)17-27)11-5-6-14-26-22-13-12-18-7-1-2-8-19(18)15-22/h1-4,7-10,12-13,15,23,26H,5-6,11,14,16-17,25H2/t23-/m0/s1
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PC sid
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Article
PubMed
n/an/a 43n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of DPP8 (unknown origin)


Bioorg Med Chem Lett 18: 4159-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.079
BindingDB Entry DOI: 10.7270/Q2KS6RC4
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50243187
PNG
((S)-2-amino-1-(isoindolin-2-yl)-6-(naphthalen-2-yl...)
Show SMILES N[C@@H](CCCCNc1ccc2ccccc2c1)C(=O)N1Cc2ccccc2C1 |r|
Show InChI InChI=1S/C24H27N3O/c25-23(24(28)27-16-20-9-3-4-10-21(20)17-27)11-5-6-14-26-22-13-12-18-7-1-2-8-19(18)15-22/h1-4,7-10,12-13,15,23,26H,5-6,11,14,16-17,25H2/t23-/m0/s1
PDB
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Article
PubMed
n/an/a 1.78E+5n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of DPP4 (unknown origin)


Bioorg Med Chem Lett 18: 4159-62 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.079
BindingDB Entry DOI: 10.7270/Q2KS6RC4
More data for this
Ligand-Target Pair