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BDBM50170883 CHEMBL3805118

SMILES: NC(CNC1CCCCCC1)P(O)(=O)CC(Cc1ccccc1)C(O)=O

InChI Key: InChIKey=CCYMPAKREBKHRA-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 = 50170883   
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 (Human))
BDBM50170883
PNG
(CHEMBL3805118)
Show SMILES NC(CNC1CCCCCC1)P(O)(=O)CC(Cc1ccccc1)C(O)=O
Show InChI InChI=1/C19H31N2O4P/c20-18(13-21-17-10-6-1-2-7-11-17)26(24,25)14-16(19(22)23)12-15-8-4-3-5-9-15/h3-5,8-9,16-18,21H,1-2,6-7,10-14,20H2,(H,22,23)(H,24,25)
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PC cid
PC sid
UniChem
PubMed
207n/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))
BDBM50170883
PNG
(CHEMBL3805118)
Show SMILES NC(CNC1CCCCCC1)P(O)(=O)CC(Cc1ccccc1)C(O)=O
Show InChI InChI=1/C19H31N2O4P/c20-18(13-21-17-10-6-1-2-7-11-17)26(24,25)14-16(19(22)23)12-15-8-4-3-5-9-15/h3-5,8-9,16-18,21H,1-2,6-7,10-14,20H2,(H,22,23)(H,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
PubMed
3.24E+3n/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
Aminopeptidase


(Homo sapiens (Human))
BDBM50170883
PNG
(CHEMBL3805118)
Show SMILES NC(CNC1CCCCCC1)P(O)(=O)CC(Cc1ccccc1)C(O)=O
Show InChI InChI=1/C19H31N2O4P/c20-18(13-21-17-10-6-1-2-7-11-17)26(24,25)14-16(19(22)23)12-15-8-4-3-5-9-15/h3-5,8-9,16-18,21H,1-2,6-7,10-14,20H2,(H,22,23)(H,24,25)
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Article
PubMed
9.51E+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)


Article DOI: 10.1016/j.bmcl.2016.06.062
More data for this
Ligand-Target Pair
Leucine aminopeptidase (LAP)


(Sus scrofa (Pig))
BDBM50170883
PNG
(CHEMBL3805118)
Show SMILES NC(CNC1CCCCCC1)P(O)(=O)CC(Cc1ccccc1)C(O)=O
Show InChI InChI=1/C19H31N2O4P/c20-18(13-21-17-10-6-1-2-7-11-17)26(24,25)14-16(19(22)23)12-15-8-4-3-5-9-15/h3-5,8-9,16-18,21H,1-2,6-7,10-14,20H2,(H,22,23)(H,24,25)
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
2.38E+4n/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))
BDBM50170883
PNG
(CHEMBL3805118)
Show SMILES NC(CNC1CCCCCC1)P(O)(=O)CC(Cc1ccccc1)C(O)=O
Show InChI InChI=1/C19H31N2O4P/c20-18(13-21-17-10-6-1-2-7-11-17)26(24,25)14-16(19(22)23)12-15-8-4-3-5-9-15/h3-5,8-9,16-18,21H,1-2,6-7,10-14,20H2,(H,22,23)(H,24,25)
PDB
MMDB

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PC cid
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 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)


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