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BDBM65361 MLS000714362::N-[(8-hydroxy-7-quinolinyl)-thiophen-2-ylmethyl]propanamide::N-[(8-hydroxy-7-quinolyl)-(2-thienyl)methyl]propionamide::N-[(8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]propanamide::N-[(8-oxidanylquinolin-7-yl)-thiophen-2-yl-methyl]propanamide::SMR000274342::cid_3136123

SMILES: CCC(=O)NC(c1cccs1)c1ccc2cccnc2c1O

InChI Key: InChIKey=LKWVVCSJBMZGAM-UHFFFAOYSA-N

Data: 4 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 65361   
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
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM65361
PNG
(MLS000714362 | N-[(8-hydroxy-7-quinolinyl)-thiophe...)
Show SMILES CCC(=O)NC(c1cccs1)c1ccc2cccnc2c1O
Show InChI InChI=1S/C17H16N2O2S/c1-2-14(20)19-16(13-6-4-10-22-13)12-8-7-11-5-3-9-18-15(11)17(12)21/h3-10,16,21H,2H2,1H3,(H,19,20)
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Article
PubMed
n/an/a 3.40E+3n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human platelet-type N-terminally His6-tagged 12-lipoxygenase assessed as conjugated diene product formation using arachidonic acid by U...


J Med Chem 54: 5485-97 (2011)


Article DOI: 10.1021/jm2005089
BindingDB Entry DOI: 10.7270/Q25T3KVT
More data for this
Ligand-Target Pair
15-Lipoxygenase-2 (15-LOX-2)


(Homo sapiens (Human))
BDBM65361
PNG
(MLS000714362 | N-[(8-hydroxy-7-quinolinyl)-thiophe...)
Show SMILES CCC(=O)NC(c1cccs1)c1ccc2cccnc2c1O
Show InChI InChI=1S/C17H16N2O2S/c1-2-14(20)19-16(13-6-4-10-22-13)12-8-7-11-5-3-9-18-15(11)17(12)21/h3-10,16,21H,2H2,1H3,(H,19,20)
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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 reticulocyte N-terminally His6-tagged 15-lipoxygenase-2 assessed as conjugated diene product formation using arachidonic acid by ...


J Med Chem 54: 5485-97 (2011)


Article DOI: 10.1021/jm2005089
BindingDB Entry DOI: 10.7270/Q25T3KVT
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM65361
PNG
(MLS000714362 | N-[(8-hydroxy-7-quinolinyl)-thiophe...)
Show SMILES CCC(=O)NC(c1cccs1)c1ccc2cccnc2c1O
Show InChI InChI=1S/C17H16N2O2S/c1-2-14(20)19-16(13-6-4-10-22-13)12-8-7-11-5-3-9-18-15(11)17(12)21/h3-10,16,21H,2H2,1H3,(H,19,20)
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PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human reticulocyte N-terminally His6-tagged 15-lipoxygenase-1 assessed as conjugated diene product formation using arachidonic acid by ...


J Med Chem 54: 5485-97 (2011)


Article DOI: 10.1021/jm2005089
BindingDB Entry DOI: 10.7270/Q25T3KVT
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM65361
PNG
(MLS000714362 | N-[(8-hydroxy-7-quinolinyl)-thiophe...)
Show SMILES CCC(=O)NC(c1cccs1)c1ccc2cccnc2c1O
Show InChI InChI=1S/C17H16N2O2S/c1-2-14(20)19-16(13-6-4-10-22-13)12-8-7-11-5-3-9-18-15(11)17(12)21/h3-10,16,21H,2H2,1H3,(H,19,20)
PDB
MMDB

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UniProtKB/SwissProt

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UniChem

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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 5-lipoxygenase assessed as conjugated diene product formation using arachidonic acid by UV-vis spectrophotometer analysis


J Med Chem 54: 5485-97 (2011)


Article DOI: 10.1021/jm2005089
BindingDB Entry DOI: 10.7270/Q25T3KVT
More data for this
Ligand-Target Pair