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2 similar compounds to monomer 50350396

Compile data set for download or QSAR
Wt: 312.3
BDBM65361
Wt: 391.2
BDBM50350395

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 65361,50350395   
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))
BDBM50350395
PNG
(CHEMBL1512078)
Show SMILES CCC(=O)NC(c1cccs1)c1cc(Br)c2cccnc2c1O
Show InChI InChI=1S/C17H15BrN2O2S/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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UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.40E+4n/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
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

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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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PC cid
PC sid
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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))
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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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
Arachidonate 5-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)
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 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