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BDBM50190111 CHEMBL327844

SMILES: NC(CCc1ccccc1)P(O)(=O)CC(Cc1ccccc1)C(O)=O

InChI Key: InChIKey=QELOIXSGJMIHBZ-UHFFFAOYSA-N

Data: 5 KI

PDB links: 2 PDB IDs match 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 = 50190111   
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
leucine aminopeptidase


(Plasmodium falciparum 3D7)
BDBM50190111
PNG
(CHEMBL327844)
Show SMILES NC(CCc1ccccc1)P(O)(=O)CC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C19H24NO4P/c20-18(12-11-15-7-3-1-4-8-15)25(23,24)14-17(19(21)22)13-16-9-5-2-6-10-16/h1-10,17-18H,11-14,20H2,(H,21,22)(H,23,24)
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PC sid
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Article
PubMed
13n/an/an/an/an/an/an/an/a



Wroc?aw University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum LAP


Bioorg Med Chem Lett 29: 1031-1042 (2019)


Article DOI: 10.1016/j.bmcl.2019.02.034
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytosol aminopeptidase


(Sus scrofa)
BDBM50190111
PNG
(CHEMBL327844)
Show SMILES NC(CCc1ccccc1)P(O)(=O)CC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C19H24NO4P/c20-18(12-11-15-7-3-1-4-8-15)25(23,24)14-17(19(21)22)13-16-9-5-2-6-10-16/h1-10,17-18H,11-14,20H2,(H,21,22)(H,23,24)
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66n/an/an/an/an/an/an/an/a



Wroc?aw University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of porcine LAP


Bioorg Med Chem Lett 29: 1031-1042 (2019)


Article DOI: 10.1016/j.bmcl.2019.02.034
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50190111
PNG
(CHEMBL327844)
Show SMILES NC(CCc1ccccc1)P(O)(=O)CC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C19H24NO4P/c20-18(12-11-15-7-3-1-4-8-15)25(23,24)14-17(19(21)22)13-16-9-5-2-6-10-16/h1-10,17-18H,11-14,20H2,(H,21,22)(H,23,24)
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PC sid
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Article
PubMed
276n/an/an/an/an/an/an/an/a



Wroc?aw University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of porcine APN


Bioorg Med Chem Lett 29: 1031-1042 (2019)


Article DOI: 10.1016/j.bmcl.2019.02.034
More data for this
Ligand-Target Pair
Aminopeptidase


(Homo sapiens (Human))
BDBM50190111
PNG
(CHEMBL327844)
Show SMILES NC(CCc1ccccc1)P(O)(=O)CC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C19H24NO4P/c20-18(12-11-15-7-3-1-4-8-15)25(23,24)14-17(19(21)22)13-16-9-5-2-6-10-16/h1-10,17-18H,11-14,20H2,(H,21,22)(H,23,24)
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Article
PubMed
350n/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
BindingDB Entry DOI: 10.7270/Q2TT4SW1
More data for this
Ligand-Target Pair
Aminopeptidase


(Homo sapiens (Human))
BDBM50190111
PNG
(CHEMBL327844)
Show SMILES NC(CCc1ccccc1)P(O)(=O)CC(Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C19H24NO4P/c20-18(12-11-15-7-3-1-4-8-15)25(23,24)14-17(19(21)22)13-16-9-5-2-6-10-16/h1-10,17-18H,11-14,20H2,(H,21,22)(H,23,24)
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Article
PubMed
1.91E+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)


Article DOI: 10.1016/j.bmcl.2016.06.062
BindingDB Entry DOI: 10.7270/Q2TT4SW1
More data for this
Ligand-Target Pair