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SMILES: CCCCCCCCOC(=O)NS(=O)(=O)Nc1cc(ccc1OC)-c1cc2ccccc2[nH]1

InChI Key:

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 = 50584668   
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
Polyunsaturated fatty acid lipoxygenase ALOX15


(Oryctolagus cuniculus (rabbit))
BDBM50584668
PNG
(CHEMBL5089414)
Show SMILES CCCCCCCCOC(=O)NS(=O)(=O)Nc1cc(ccc1OC)-c1cc2ccccc2[nH]1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
22n/an/an/an/an/an/an/an/a


TBA

Assay Description
Non-competitive inhibition of wild type rabbit N-terminal His-tagged ALOX15 expressed in Escherichia coli assessed as inhibition constant using linol...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01563
BindingDB Entry DOI: 10.7270/Q2BR8X2D
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Oryctolagus cuniculus (rabbit))
BDBM50584668
PNG
(CHEMBL5089414)
Show SMILES CCCCCCCCOC(=O)NS(=O)(=O)Nc1cc(ccc1OC)-c1cc2ccccc2[nH]1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.06E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild type rabbit N-terminal His-tagged ALOX15 expressed in Escherichia coli using arachidonic acid as substrate by spectrophotometric a...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01563
BindingDB Entry DOI: 10.7270/Q2BR8X2D
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50584668
PNG
(CHEMBL5089414)
Show SMILES CCCCCCCCOC(=O)NS(=O)(=O)Nc1cc(ccc1OC)-c1cc2ccccc2[nH]1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 650n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal His-tagged ALOX15 expressed in Escherichia coli Rosetta2(DE3)pLysS using arachidonic acid as substrate by ...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01563
BindingDB Entry DOI: 10.7270/Q2BR8X2D
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Oryctolagus cuniculus (rabbit))
BDBM50584668
PNG
(CHEMBL5089414)
Show SMILES CCCCCCCCOC(=O)NS(=O)(=O)Nc1cc(ccc1OC)-c1cc2ccccc2[nH]1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild type rabbit N-terminal His-tagged ALOX15 expressed in Escherichia coli using linoleic acid as substrate by spectrophotometric assa...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01563
BindingDB Entry DOI: 10.7270/Q2BR8X2D
More data for this
Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15


(Homo sapiens (Human))
BDBM50584668
PNG
(CHEMBL5089414)
Show SMILES CCCCCCCCOC(=O)NS(=O)(=O)Nc1cc(ccc1OC)-c1cc2ccccc2[nH]1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 33n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human N-terminal His-tagged ALOX15 expressed in Escherichia coli Rosetta2(DE3)pLysS using linoleic acid as substrate by spe...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01563
BindingDB Entry DOI: 10.7270/Q2BR8X2D
More data for this
Ligand-Target Pair