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BDBM50170884 CHEMBL3805495

SMILES: COc1ccc(CCNCC(N)P(O)(=O)CC(Cc2ccccc2)C(O)=O)cc1

InChI Key: InChIKey=XGTZMRSSJSALMZ-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 = 50170884   
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))
BDBM50170884
PNG
(CHEMBL3805495)
Show SMILES COc1ccc(CCNCC(N)P(O)(=O)CC(Cc2ccccc2)C(O)=O)cc1
Show InChI InChI=1/C21H29N2O5P/c1-28-19-9-7-16(8-10-19)11-12-23-14-20(22)29(26,27)15-18(21(24)25)13-17-5-3-2-4-6-17/h2-10,18,20,23H,11-15,22H2,1H3,(H,24,25)(H,26,27)
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PC sid
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78n/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


(Homo sapiens (Human))
BDBM50170884
PNG
(CHEMBL3805495)
Show SMILES COc1ccc(CCNCC(N)P(O)(=O)CC(Cc2ccccc2)C(O)=O)cc1
Show InChI InChI=1/C21H29N2O5P/c1-28-19-9-7-16(8-10-19)11-12-23-14-20(22)29(26,27)15-18(21(24)25)13-17-5-3-2-4-6-17/h2-10,18,20,23H,11-15,22H2,1H3,(H,24,25)(H,26,27)
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Article
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1.30E+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
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50170884
PNG
(CHEMBL3805495)
Show SMILES COc1ccc(CCNCC(N)P(O)(=O)CC(Cc2ccccc2)C(O)=O)cc1
Show InChI InChI=1/C21H29N2O5P/c1-28-19-9-7-16(8-10-19)11-12-23-14-20(22)29(26,27)15-18(21(24)25)13-17-5-3-2-4-6-17/h2-10,18,20,23H,11-15,22H2,1H3,(H,24,25)(H,26,27)
PDB

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PC cid
PC sid
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PubMed
1.48E+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
Leucine aminopeptidase (LAP)


(Sus scrofa (Pig))
BDBM50170884
PNG
(CHEMBL3805495)
Show SMILES COc1ccc(CCNCC(N)P(O)(=O)CC(Cc2ccccc2)C(O)=O)cc1
Show InChI InChI=1/C21H29N2O5P/c1-28-19-9-7-16(8-10-19)11-12-23-14-20(22)29(26,27)15-18(21(24)25)13-17-5-3-2-4-6-17/h2-10,18,20,23H,11-15,22H2,1H3,(H,24,25)(H,26,27)
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
2.11E+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))
BDBM50170884
PNG
(CHEMBL3805495)
Show SMILES COc1ccc(CCNCC(N)P(O)(=O)CC(Cc2ccccc2)C(O)=O)cc1
Show InChI InChI=1/C21H29N2O5P/c1-28-19-9-7-16(8-10-19)11-12-23-14-20(22)29(26,27)15-18(21(24)25)13-17-5-3-2-4-6-17/h2-10,18,20,23H,11-15,22H2,1H3,(H,24,25)(H,26,27)
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MMDB

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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)


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