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BDBM50025049 CHEMBL3355107

SMILES: Cc1cc(C)cc(CC(CP(O)(=O)C(N)CCc2ccccc2)C(O)=O)c1

InChI Key: InChIKey=XTCAOJQUSFRSJC-UHFFFAOYNA-N

Data: 5 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50025049   
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)
BDBM50025049
PNG
(CHEMBL3355107)
Show SMILES Cc1cc(C)cc(CC(CP(O)(=O)C(N)CCc2ccccc2)C(O)=O)c1
Show InChI InChI=1/C21H28NO4P/c1-15-10-16(2)12-18(11-15)13-19(21(23)24)14-27(25,26)20(22)9-8-17-6-4-3-5-7-17/h3-7,10-12,19-20H,8-9,13-14,22H2,1-2H3,(H,23,24)(H,25,26)
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Article
PubMed
28n/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))
BDBM50025049
PNG
(CHEMBL3355107)
Show SMILES Cc1cc(C)cc(CC(CP(O)(=O)C(N)CCc2ccccc2)C(O)=O)c1
Show InChI InChI=1/C21H28NO4P/c1-15-10-16(2)12-18(11-15)13-19(21(23)24)14-27(25,26)20(22)9-8-17-6-4-3-5-7-17/h3-7,10-12,19-20H,8-9,13-14,22H2,1-2H3,(H,23,24)(H,25,26)
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PC sid
UniChem

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Article
PubMed
740n/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))
BDBM50025049
PNG
(CHEMBL3355107)
Show SMILES Cc1cc(C)cc(CC(CP(O)(=O)C(N)CCc2ccccc2)C(O)=O)c1
Show InChI InChI=1/C21H28NO4P/c1-15-10-16(2)12-18(11-15)13-19(21(23)24)14-27(25,26)20(22)9-8-17-6-4-3-5-7-17/h3-7,10-12,19-20H,8-9,13-14,22H2,1-2H3,(H,23,24)(H,25,26)
GoogleScholar
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UniChem

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Article
PubMed
1.03E+3n/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)
BDBM50025049
PNG
(CHEMBL3355107)
Show SMILES Cc1cc(C)cc(CC(CP(O)(=O)C(N)CCc2ccccc2)C(O)=O)c1
Show InChI InChI=1/C21H28NO4P/c1-15-10-16(2)12-18(11-15)13-19(21(23)24)14-27(25,26)20(22)9-8-17-6-4-3-5-7-17/h3-7,10-12,19-20H,8-9,13-14,22H2,1-2H3,(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
Aminopeptidase


(Homo sapiens)
BDBM50025049
PNG
(CHEMBL3355107)
Show SMILES Cc1cc(C)cc(CC(CP(O)(=O)C(N)CCc2ccccc2)C(O)=O)c1
Show InChI InChI=1/C21H28NO4P/c1-15-10-16(2)12-18(11-15)13-19(21(23)24)14-27(25,26)20(22)9-8-17-6-4-3-5-7-17/h3-7,10-12,19-20H,8-9,13-14,22H2,1-2H3,(H,23,24)(H,25,26)
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antibodypedia
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PC cid
PC sid
UniChem

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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 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