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5 similar compounds to monomer 50447175

Compile data set for download or QSAR
Wt: 445.9
BDBM50447179
Wt: 459.5
BDBM50447180
Wt: 471.5
BDBM50447182
Wt: 455.5
BDBM50447184
Wt: 490.3
BDBM50447189

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50447179,50447180,50447182,50447184,50447189   
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))
BDBM50447179
PNG
(CHEMBL3113201)
Show SMILES Oc1c(Cl)cccc1CNc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2s1
Show InChI InChI=1S/C20H16ClN3O3S2/c21-16-5-3-4-13(19(16)25)12-22-14-8-10-15(11-9-14)29(26,27)24-20-23-17-6-1-2-7-18(17)28-20/h1-11,22,25H,12H2,(H,23,24)
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n/an/a 1.30E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human reticulocyte 15-LOX1 using arachidonic acid as substrate by UV-vis spectrophotometric analysis


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50447180
PNG
(CHEMBL3113198)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nc3ccc(F)cc3s2)c1O
Show InChI InChI=1S/C21H18FN3O4S2/c1-29-18-4-2-3-13(20(18)26)12-23-15-6-8-16(9-7-15)31(27,28)25-21-24-17-10-5-14(22)11-19(17)30-21/h2-11,23,26H,12H2,1H3,(H,24,25)
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n/an/a 4.50E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human reticulocyte 15-LOX1 using arachidonic acid as substrate by UV-vis spectrophotometric analysis


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50447182
PNG
(CHEMBL3113192)
Show SMILES COc1ccc2nc(NS(=O)(=O)c3ccc(NCc4cccc(OC)c4O)cc3)sc2c1
Show InChI InChI=1S/C22H21N3O5S2/c1-29-16-8-11-18-20(12-16)31-22(24-18)25-32(27,28)17-9-6-15(7-10-17)23-13-14-4-3-5-19(30-2)21(14)26/h3-12,23,26H,13H2,1-2H3,(H,24,25)
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n/an/a 5.10E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human reticulocyte 15-LOX1 using arachidonic acid as substrate by UV-vis spectrophotometric analysis


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50447184
PNG
(CHEMBL3113169)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nc3c(C)cccc3s2)c1O
Show InChI InChI=1S/C22H21N3O4S2/c1-14-5-3-8-19-20(14)24-22(30-19)25-31(27,28)17-11-9-16(10-12-17)23-13-15-6-4-7-18(29-2)21(15)26/h3-12,23,26H,13H2,1-2H3,(H,24,25)
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n/an/a 690n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human reticulocyte 15-LOX1 using arachidonic acid as substrate by UV-vis spectrophotometric analysis


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50447184
PNG
(CHEMBL3113169)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nc3c(C)cccc3s2)c1O
Show InChI InChI=1S/C22H21N3O4S2/c1-14-5-3-8-19-20(14)24-22(30-19)25-31(27,28)17-11-9-16(10-12-17)23-13-15-6-4-7-18(29-2)21(15)26/h3-12,23,26H,13H2,1-2H3,(H,24,25)
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n/an/a 240n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate by UV-vis spectrophotometric analysis


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50447179
PNG
(CHEMBL3113201)
Show SMILES Oc1c(Cl)cccc1CNc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2s1
Show InChI InChI=1S/C20H16ClN3O3S2/c21-16-5-3-4-13(19(16)25)12-22-14-8-10-15(11-9-14)29(26,27)24-20-23-17-6-1-2-7-18(17)28-20/h1-11,22,25H,12H2,(H,23,24)
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n/an/a 1.30E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate by UV-vis spectrophotometric analysis


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50447180
PNG
(CHEMBL3113198)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nc3ccc(F)cc3s2)c1O
Show InChI InChI=1S/C21H18FN3O4S2/c1-29-18-4-2-3-13(20(18)26)12-23-15-6-8-16(9-7-15)31(27,28)25-21-24-17-10-5-14(22)11-19(17)30-21/h2-11,23,26H,12H2,1H3,(H,24,25)
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n/an/a 220n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate by UV-vis spectrophotometric analysis


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50447182
PNG
(CHEMBL3113192)
Show SMILES COc1ccc2nc(NS(=O)(=O)c3ccc(NCc4cccc(OC)c4O)cc3)sc2c1
Show InChI InChI=1S/C22H21N3O5S2/c1-29-16-8-11-18-20(12-16)31-22(24-18)25-32(27,28)17-9-6-15(7-10-17)23-13-14-4-3-5-19(30-2)21(14)26/h3-12,23,26H,13H2,1-2H3,(H,24,25)
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n/an/a 260n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate by UV-vis spectrophotometric analysis


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50447189
PNG
(CHEMBL3113370)
Show SMILES Oc1cc(Br)ccc1CNc1ccc(cc1)S(=O)(=O)Nc1nc2ccccc2s1
Show InChI InChI=1S/C20H16BrN3O3S2/c21-14-6-5-13(18(25)11-14)12-22-15-7-9-16(10-8-15)29(26,27)24-20-23-17-3-1-2-4-19(17)28-20/h1-11,22,25H,12H2,(H,23,24)
PDB
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PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate by UV-vis spectrophotometric analysis


J Med Chem 57: 495-506 (2014)


Article DOI: 10.1021/jm4016476
BindingDB Entry DOI: 10.7270/Q27082XR
More data for this
Ligand-Target Pair