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BDBM50329328 4-(5-(naphthalen-2-yl)-1,3,4-oxadiazol-2-ylthio)but-2-ynyl-4-fluorobenzoate::CHEMBL1270314

SMILES: Fc1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)-c1ccc2ccccc2c1

InChI Key: InChIKey=USHXQDWLBSCRJF-UHFFFAOYSA-N

Data: 4 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50329328   
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
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50329328
PNG
(4-(5-(naphthalen-2-yl)-1,3,4-oxadiazol-2-ylthio)bu...)
Show SMILES Fc1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C23H15FN2O3S/c24-20-11-9-17(10-12-20)22(27)28-13-3-4-14-30-23-26-25-21(29-23)19-8-7-16-5-1-2-6-18(16)15-19/h1-2,5-12,15H,13-14H2
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Article
PubMed
n/an/a<10n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged reticulocyte 15-lipoxygenase-1 after 15 mins by UV-vis spectrophotometer analysis


J Med Chem 53: 7392-404 (2010)


Article DOI: 10.1021/jm1008852
BindingDB Entry DOI: 10.7270/Q2SJ1KVW
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50329328
PNG
(4-(5-(naphthalen-2-yl)-1,3,4-oxadiazol-2-ylthio)bu...)
Show SMILES Fc1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C23H15FN2O3S/c24-20-11-9-17(10-12-20)22(27)28-13-3-4-14-30-23-26-25-21(29-23)19-8-7-16-5-1-2-6-18(16)15-19/h1-2,5-12,15H,13-14H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human 5-lipoxygenase after 15 mins by UV-vis spectrophotometer analysis


J Med Chem 53: 7392-404 (2010)


Article DOI: 10.1021/jm1008852
BindingDB Entry DOI: 10.7270/Q2SJ1KVW
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50329328
PNG
(4-(5-(naphthalen-2-yl)-1,3,4-oxadiazol-2-ylthio)bu...)
Show SMILES Fc1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C23H15FN2O3S/c24-20-11-9-17(10-12-20)22(27)28-13-3-4-14-30-23-26-25-21(29-23)19-8-7-16-5-1-2-6-18(16)15-19/h1-2,5-12,15H,13-14H2
PDB
MMDB

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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged platelet 12-lipoxygenase after 15 mins by UV-vis spectrophotometer analysis


J Med Chem 53: 7392-404 (2010)


Article DOI: 10.1021/jm1008852
BindingDB Entry DOI: 10.7270/Q2SJ1KVW
More data for this
Ligand-Target Pair
15-Lipoxygenase-2 (15-LOX-2)


(Homo sapiens (Human))
BDBM50329328
PNG
(4-(5-(naphthalen-2-yl)-1,3,4-oxadiazol-2-ylthio)bu...)
Show SMILES Fc1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C23H15FN2O3S/c24-20-11-9-17(10-12-20)22(27)28-13-3-4-14-30-23-26-25-21(29-23)19-8-7-16-5-1-2-6-18(16)15-19/h1-2,5-12,15H,13-14H2
PDB

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PC cid
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His6-tagged epithelial 15-lipoxygenase-2 after 15 mins by UV-vis spectrophotometer analysis


J Med Chem 53: 7392-404 (2010)


Article DOI: 10.1021/jm1008852
BindingDB Entry DOI: 10.7270/Q2SJ1KVW
More data for this
Ligand-Target Pair