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BDBM50025045 CHEMBL3355102

SMILES: NC(CCc1cccc(O)c1)P(O)(=O)CC(Cc1ccccc1)C(O)=O

InChI Key: InChIKey=FYGJSIIQNXLTQW-UHFFFAOYNA-N

Data: 5 KI

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 = 50025045   
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
Aminopeptidase N


(Homo sapiens)
BDBM50025045
PNG
(CHEMBL3355102)
Show SMILES NC(CCc1cccc(O)c1)P(O)(=O)CC(Cc1ccccc1)C(O)=O
Show InChI InChI=1/C19H24NO5P/c20-18(10-9-15-7-4-8-17(21)12-15)26(24,25)13-16(19(22)23)11-14-5-2-1-3-6-14/h1-8,12,16,18,21H,9-11,13,20H2,(H,22,23)(H,24,25)
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Article
PubMed
146n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human recombinant alanyl aminopeptidase after 30 to 60 mins by morrison's equation


J Med Chem 57: 8140-51 (2014)

More data for this
Ligand-Target Pair
Leucine aminopeptidase (LAP)


(Sus scrofa (Pig))
BDBM50025045
PNG
(CHEMBL3355102)
Show SMILES NC(CCc1cccc(O)c1)P(O)(=O)CC(Cc1ccccc1)C(O)=O
Show InChI InChI=1/C19H24NO5P/c20-18(10-9-15-7-4-8-17(21)12-15)26(24,25)13-16(19(22)23)11-14-5-2-1-3-6-14/h1-8,12,16,18,21H,9-11,13,20H2,(H,22,23)(H,24,25)
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PubMed
593n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of pig recombinant leucine aminopeptidase after 30 to 60 mins by morrison's equation


J Med Chem 57: 8140-51 (2014)

More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50025045
PNG
(CHEMBL3355102)
Show SMILES NC(CCc1cccc(O)c1)P(O)(=O)CC(Cc1ccccc1)C(O)=O
Show InChI InChI=1/C19H24NO5P/c20-18(10-9-15-7-4-8-17(21)12-15)26(24,25)13-16(19(22)23)11-14-5-2-1-3-6-14/h1-8,12,16,18,21H,9-11,13,20H2,(H,22,23)(H,24,25)
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PC sid
UniChem

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Article
PubMed
713n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of pig recombinant alanyl aminopeptidase after 30 to 60 mins by morrison's equation


J Med Chem 57: 8140-51 (2014)

More data for this
Ligand-Target Pair
Aminopeptidase


(Homo sapiens)
BDBM50025045
PNG
(CHEMBL3355102)
Show SMILES NC(CCc1cccc(O)c1)P(O)(=O)CC(Cc1ccccc1)C(O)=O
Show InChI InChI=1/C19H24NO5P/c20-18(10-9-15-7-4-8-17(21)12-15)26(24,25)13-16(19(22)23)11-14-5-2-1-3-6-14/h1-8,12,16,18,21H,9-11,13,20H2,(H,22,23)(H,24,25)
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Article
PubMed
4.57E+3n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human ERAP2 preincubated for 30 to 60 mins followed by addition of Arg-AMC as substrate measured for 15 mins by spectrofluorimetric met...


Bioorg Med Chem Lett 26: 4122-6 (2016)

More data for this
Ligand-Target Pair
Aminopeptidase


(Homo sapiens)
BDBM50025045
PNG
(CHEMBL3355102)
Show SMILES NC(CCc1cccc(O)c1)P(O)(=O)CC(Cc1ccccc1)C(O)=O
Show InChI InChI=1/C19H24NO5P/c20-18(10-9-15-7-4-8-17(21)12-15)26(24,25)13-16(19(22)23)11-14-5-2-1-3-6-14/h1-8,12,16,18,21H,9-11,13,20H2,(H,22,23)(H,24,25)
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Article
PubMed
8.71E+4n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human ERAP1 preincubated for 30 to 60 mins followed by addition of Leu-AMC as substrate measured for 15 mins by spectrofluorimetric met...


Bioorg Med Chem Lett 26: 4122-6 (2016)

More data for this
Ligand-Target Pair