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BDBM64674 MLS000713956::N-[(5-chloranyl-8-oxidanyl-quinolin-7-yl)-(furan-2-yl)methyl]propanamide::N-[(5-chloro-8-hydroxy-7-quinolinyl)-(2-furanyl)methyl]propanamide::N-[(5-chloro-8-hydroxy-7-quinolyl)-(2-furyl)methyl]propionamide::N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]propanamide::SMR000273437::cid_2920571

SMILES: CCC(=O)NC(c1ccco1)c1cc(Cl)c2cccnc2c1O

InChI Key: InChIKey=UPLAQKIMKDWICQ-UHFFFAOYSA-N

Data: 4 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 64674   
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))
BDBM64674
PNG
(MLS000713956 | N-[(5-chloranyl-8-oxidanyl-quinolin...)
Show SMILES CCC(=O)NC(c1ccco1)c1cc(Cl)c2cccnc2c1O
Show InChI InChI=1S/C17H15ClN2O3/c1-2-14(21)20-15(13-6-4-8-23-13)11-9-12(18)10-5-3-7-19-16(10)17(11)22/h3-9,15,22H,2H2,1H3,(H,20,21)
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KEGG

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PC cid
PC sid
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Article
PubMed
n/an/a 1.00E+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))
BDBM64674
PNG
(MLS000713956 | N-[(5-chloranyl-8-oxidanyl-quinolin...)
Show SMILES CCC(=O)NC(c1ccco1)c1cc(Cl)c2cccnc2c1O
Show InChI InChI=1S/C17H15ClN2O3/c1-2-14(21)20-15(13-6-4-8-23-13)11-9-12(18)10-5-3-7-19-16(10)17(11)22/h3-9,15,22H,2H2,1H3,(H,20,21)
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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 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))
BDBM64674
PNG
(MLS000713956 | N-[(5-chloranyl-8-oxidanyl-quinolin...)
Show SMILES CCC(=O)NC(c1ccco1)c1cc(Cl)c2cccnc2c1O
Show InChI InChI=1S/C17H15ClN2O3/c1-2-14(21)20-15(13-6-4-8-23-13)11-9-12(18)10-5-3-7-19-16(10)17(11)22/h3-9,15,22H,2H2,1H3,(H,20,21)
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Article
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))
BDBM64674
PNG
(MLS000713956 | N-[(5-chloranyl-8-oxidanyl-quinolin...)
Show SMILES CCC(=O)NC(c1ccco1)c1cc(Cl)c2cccnc2c1O
Show InChI InChI=1S/C17H15ClN2O3/c1-2-14(21)20-15(13-6-4-8-23-13)11-9-12(18)10-5-3-7-19-16(10)17(11)22/h3-9,15,22H,2H2,1H3,(H,20,21)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
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