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BDBM50170896 CHEMBL3805251

SMILES: NC(CNC1CCCCC1N)P(O)(O)=O

InChI Key: InChIKey=JQPUWMCHQHVQGE-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 = 50170896   
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
Endoplasmic reticulum aminopeptidase 2


(Homo sapiens (Human))
BDBM50170896
PNG
(CHEMBL3805251)
Show SMILES NC(CNC1CCCCC1N)P(O)(O)=O
Show InChI InChI=1/C8H20N3O3P/c9-6-3-1-2-4-7(6)11-5-8(10)15(12,13)14/h6-8,11H,1-5,9-10H2,(H2,12,13,14)
PDB

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PC cid
PC sid
UniChem
Article
PubMed
1.03E+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)


Article DOI: 10.1016/j.bmcl.2016.06.062
More data for this
Ligand-Target Pair
Aminopeptidase N


(Homo sapiens (Human))
BDBM50170896
PNG
(CHEMBL3805251)
Show SMILES NC(CNC1CCCCC1N)P(O)(O)=O
Show InChI InChI=1/C8H20N3O3P/c9-6-3-1-2-4-7(6)11-5-8(10)15(12,13)14/h6-8,11H,1-5,9-10H2,(H2,12,13,14)
PDB

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PC cid
PC sid
UniChem
PubMed
1.35E+4n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human alanyl aminopeptidase M1 using Ala-AMC as substrate preincubated for 30 to 60 mins followed by substrate addition mea...


Eur J Med Chem 117: 187-96 (2016)

More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50170896
PNG
(CHEMBL3805251)
Show SMILES NC(CNC1CCCCC1N)P(O)(O)=O
Show InChI InChI=1/C8H20N3O3P/c9-6-3-1-2-4-7(6)11-5-8(10)15(12,13)14/h6-8,11H,1-5,9-10H2,(H2,12,13,14)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2.77E+4n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of pig kidney alanyl aminopeptidase M1 using Ala-AMC as substrate preincubated for 30 to 60 mins followed by substrate addition measured f...


Eur J Med Chem 117: 187-96 (2016)

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


(Sus scrofa (Pig))
BDBM50170896
PNG
(CHEMBL3805251)
Show SMILES NC(CNC1CCCCC1N)P(O)(O)=O
Show InChI InChI=1/C8H20N3O3P/c9-6-3-1-2-4-7(6)11-5-8(10)15(12,13)14/h6-8,11H,1-5,9-10H2,(H2,12,13,14)
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2.40E+5n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of porcine kidney leucine aminopeptidase M17 using Leu-AMC as substrate preincubated for 30 to 60 mins followed by substrate addition meas...


Eur J Med Chem 117: 187-96 (2016)

More data for this
Ligand-Target Pair
Aminopeptidase


(Homo sapiens (Human))
BDBM50170896
PNG
(CHEMBL3805251)
Show SMILES NC(CNC1CCCCC1N)P(O)(O)=O
Show InChI InChI=1/C8H20N3O3P/c9-6-3-1-2-4-7(6)11-5-8(10)15(12,13)14/h6-8,11H,1-5,9-10H2,(H2,12,13,14)
PDB
MMDB

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PC sid
UniChem
Article
PubMed
>2.50E+5n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ERAP1 using L-AMC as substrate measured for 15 to 30 mins by fluorescence analysis


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


Article DOI: 10.1016/j.bmcl.2016.06.062
More data for this
Ligand-Target Pair