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BDBM50025050 CHEMBL3355108

SMILES: NCc1cccc(CC(CP(O)(=O)C(N)CCc2ccccc2)C(O)=O)c1

InChI Key: InChIKey=OGZYJUYHRXGJNP-UHFFFAOYNA-N

Data: 5 KI

PDB links: 1 PDB ID matches 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 = 50025050   
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)
BDBM50025050
PNG
(CHEMBL3355108)
Show SMILES NCc1cccc(CC(CP(O)(=O)C(N)CCc2ccccc2)C(O)=O)c1
Show InChI InChI=1/C20H27N2O4P/c21-13-17-8-4-7-16(11-17)12-18(20(23)24)14-27(25,26)19(22)10-9-15-5-2-1-3-6-15/h1-8,11,18-19H,9-10,12-14,21-22H2,(H,23,24)(H,25,26)
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Article
PubMed
2.10n/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))
BDBM50025050
PNG
(CHEMBL3355108)
Show SMILES NCc1cccc(CC(CP(O)(=O)C(N)CCc2ccccc2)C(O)=O)c1
Show InChI InChI=1/C20H27N2O4P/c21-13-17-8-4-7-16(11-17)12-18(20(23)24)14-27(25,26)19(22)10-9-15-5-2-1-3-6-15/h1-8,11,18-19H,9-10,12-14,21-22H2,(H,23,24)(H,25,26)
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PubMed
17n/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))
BDBM50025050
PNG
(CHEMBL3355108)
Show SMILES NCc1cccc(CC(CP(O)(=O)C(N)CCc2ccccc2)C(O)=O)c1
Show InChI InChI=1/C20H27N2O4P/c21-13-17-8-4-7-16(11-17)12-18(20(23)24)14-27(25,26)19(22)10-9-15-5-2-1-3-6-15/h1-8,11,18-19H,9-10,12-14,21-22H2,(H,23,24)(H,25,26)
GoogleScholar
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Article
PubMed
195n/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)
BDBM50025050
PNG
(CHEMBL3355108)
Show SMILES NCc1cccc(CC(CP(O)(=O)C(N)CCc2ccccc2)C(O)=O)c1
Show InChI InChI=1/C20H27N2O4P/c21-13-17-8-4-7-16(11-17)12-18(20(23)24)14-27(25,26)19(22)10-9-15-5-2-1-3-6-15/h1-8,11,18-19H,9-10,12-14,21-22H2,(H,23,24)(H,25,26)
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Article
PubMed
1.86E+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
Aminopeptidase


(Homo sapiens)
BDBM50025050
PNG
(CHEMBL3355108)
Show SMILES NCc1cccc(CC(CP(O)(=O)C(N)CCc2ccccc2)C(O)=O)c1
Show InChI InChI=1/C20H27N2O4P/c21-13-17-8-4-7-16(11-17)12-18(20(23)24)14-27(25,26)19(22)10-9-15-5-2-1-3-6-15/h1-8,11,18-19H,9-10,12-14,21-22H2,(H,23,24)(H,25,26)
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Article
PubMed
>2.50E+5n/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