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BDBM50025048 CHEMBL3355099

SMILES: N[C@@H](CCc1ccccc1)P(O)(O)=O

InChI Key: InChIKey=NAPHUBPIUWHFCT-IMWMWJONNA-N

Data: 5 KI

PDB links: 3 PDB IDs match this monomer.

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 = 50025048   
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)
BDBM50025048
PNG
(CHEMBL3355099)
Show SMILES N[C@@H](CCc1ccccc1)P(O)(O)=O
Show InChI InChI=1/C9H14NO3P/c10-9(14(11,12)13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,10H2,(H2,11,12,13)/t9-/s2
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Article
PubMed
0.230n/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
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50025048
PNG
(CHEMBL3355099)
Show SMILES N[C@@H](CCc1ccccc1)P(O)(O)=O
Show InChI InChI=1/C9H14NO3P/c10-9(14(11,12)13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,10H2,(H2,11,12,13)/t9-/s2
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Article
PubMed
4.10n/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
Leucine aminopeptidase (LAP)


(Sus scrofa (Pig))
BDBM50025048
PNG
(CHEMBL3355099)
Show SMILES N[C@@H](CCc1ccccc1)P(O)(O)=O
Show InChI InChI=1/C9H14NO3P/c10-9(14(11,12)13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,10H2,(H2,11,12,13)/t9-/s2
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Article
PubMed
5n/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


(Homo sapiens)
BDBM50025048
PNG
(CHEMBL3355099)
Show SMILES N[C@@H](CCc1ccccc1)P(O)(O)=O
Show InChI InChI=1/C9H14NO3P/c10-9(14(11,12)13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,10H2,(H2,11,12,13)/t9-/s2
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Article
PubMed
5.55E+3n/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
Aminopeptidase


(Homo sapiens)
BDBM50025048
PNG
(CHEMBL3355099)
Show SMILES N[C@@H](CCc1ccccc1)P(O)(O)=O
Show InChI InChI=1/C9H14NO3P/c10-9(14(11,12)13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,10H2,(H2,11,12,13)/t9-/s2
PDB

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PDB
Article
PubMed
4.70E+4n/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
3D
3D Structure (crystal)