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25 similar compounds to monomer 50447178

Compile data set for download or QSAR
Wt: 419.5
BDBM50447218
Wt: 405.4
BDBM50447219
Wt: 405.4
BDBM50447220
Wt: 391.4
BDBM50447222
Wt: 379.4
BDBM50447224
Wt: 376.4
BDBM50447225
Wt: 391.4
BDBM50447226
Wt: 395.8
BDBM50447227
Purchase
Wt: 391.4
BDBM50447228
Purchase
Wt: 395.8
BDBM50447229
Wt: 401.5
BDBM50447230
Wt: 376.4
BDBM50447232
Wt: 375.4
BDBM50447233
Wt: 440.3
BDBM50447234
Wt: 440.3
BDBM50447235
Displayed 1 to 15 (of 25 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50447218,50447219,50447220,50447222,50447224,50447225,50447226,50447227,50447228,50447229,50447230,50447232,50447233,50447234,50447235   
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))
BDBM50447218
PNG
(CHEMBL3113173)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nc(C)c(C)s2)c1O
Show InChI InChI=1S/C19H21N3O4S2/c1-12-13(2)27-19(21-12)22-28(24,25)16-9-7-15(8-10-16)20-11-14-5-4-6-17(26-3)18(14)23/h4-10,20,23H,11H2,1-3H3,(H,21,22)
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n/an/a 1.40E+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))
BDBM50447235
PNG
(CHEMBL3113151)
Show SMILES Oc1c(Br)cccc1CNc1ccc(cc1)S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C16H14BrN3O3S2/c17-14-3-1-2-11(15(14)21)10-19-12-4-6-13(7-5-12)25(22,23)20-16-18-8-9-24-16/h1-9,19,21H,10H2,(H,18,20)
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n/an/a 1.30E+4n/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))
BDBM50447220
PNG
(CHEMBL3113170)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nc(C)cs2)c1O
Show InChI InChI=1S/C18H19N3O4S2/c1-12-11-26-18(20-12)21-27(23,24)15-8-6-14(7-9-15)19-10-13-4-3-5-16(25-2)17(13)22/h3-9,11,19,22H,10H2,1-2H3,(H,20,21)
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n/an/a 2.70E+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
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50447222
PNG
(CHEMBL3113164)
Show SMILES COc1cccc(O)c1CNc1ccc(cc1)S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C17H17N3O4S2/c1-24-16-4-2-3-15(21)14(16)11-19-12-5-7-13(8-6-12)26(22,23)20-17-18-9-10-25-17/h2-10,19,21H,11H2,1H3,(H,18,20)
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n/an/a>4.00E+4n/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))
BDBM50447224
PNG
(CHEMBL3113162)
Show SMILES Oc1ccc(F)cc1CNc1ccc(cc1)S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C16H14FN3O3S2/c17-12-1-6-15(21)11(9-12)10-19-13-2-4-14(5-3-13)25(22,23)20-16-18-7-8-24-16/h1-9,19,21H,10H2,(H,18,20)
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n/an/a>4.00E+4n/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))
BDBM50447225
PNG
(CHEMBL3113161)
Show SMILES Nc1ccc(O)c(CNc2ccc(cc2)S(=O)(=O)Nc2nccs2)c1
Show InChI InChI=1S/C16H16N4O3S2/c17-12-1-6-15(21)11(9-12)10-19-13-2-4-14(5-3-13)25(22,23)20-16-18-7-8-24-16/h1-9,19,21H,10,17H2,(H,18,20)
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n/an/a>4.00E+4n/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))
BDBM50447226
PNG
(CHEMBL3113160)
Show SMILES COc1ccc(O)c(CNc2ccc(cc2)S(=O)(=O)Nc2nccs2)c1
Show InChI InChI=1S/C17H17N3O4S2/c1-24-14-4-7-16(21)12(10-14)11-19-13-2-5-15(6-3-13)26(22,23)20-17-18-8-9-25-17/h2-10,19,21H,11H2,1H3,(H,18,20)
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n/an/a>4.00E+4n/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))
BDBM50447227
PNG
(CHEMBL3113159)
Show SMILES Oc1ccc(Cl)cc1CNc1ccc(cc1)S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C16H14ClN3O3S2/c17-12-1-6-15(21)11(9-12)10-19-13-2-4-14(5-3-13)25(22,23)20-16-18-7-8-24-16/h1-9,19,21H,10H2,(H,18,20)
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n/an/a>4.00E+4n/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))
BDBM50447228
PNG
(CHEMBL3113158)
Show SMILES COc1ccc(CNc2ccc(cc2)S(=O)(=O)Nc2nccs2)c(O)c1
Show InChI InChI=1S/C17H17N3O4S2/c1-24-14-5-2-12(16(21)10-14)11-19-13-3-6-15(7-4-13)26(22,23)20-17-18-8-9-25-17/h2-10,19,21H,11H2,1H3,(H,18,20)
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n/an/a 2.20E+4n/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))
BDBM50447229
PNG
(CHEMBL3113157)
Show SMILES Oc1cc(Cl)ccc1CNc1ccc(cc1)S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C16H14ClN3O3S2/c17-12-2-1-11(15(21)9-12)10-19-13-3-5-14(6-4-13)25(22,23)20-16-18-7-8-24-16/h1-9,19,21H,10H2,(H,18,20)
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n/an/a 6.30E+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))
BDBM50447230
PNG
(CHEMBL3113156)
Show SMILES Oc1c(CNc2ccc(cc2)S(=O)(=O)Nc2nccs2)cccc1CC=C
Show InChI InChI=1S/C19H19N3O3S2/c1-2-4-14-5-3-6-15(18(14)23)13-21-16-7-9-17(10-8-16)27(24,25)22-19-20-11-12-26-19/h2-3,5-12,21,23H,1,4,13H2,(H,20,22)
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n/an/a>4.00E+4n/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))
BDBM50447232
PNG
(CHEMBL3113154)
Show SMILES Nc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nccs2)c1O
Show InChI InChI=1S/C16H16N4O3S2/c17-14-3-1-2-11(15(14)21)10-19-12-4-6-13(7-5-12)25(22,23)20-16-18-8-9-24-16/h1-9,19,21H,10,17H2,(H,18,20)
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n/an/a>4.00E+4n/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))
BDBM50447233
PNG
(CHEMBL3113153)
Show SMILES Cc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nccs2)c1O
Show InChI InChI=1S/C17H17N3O3S2/c1-12-3-2-4-13(16(12)21)11-19-14-5-7-15(8-6-14)25(22,23)20-17-18-9-10-24-17/h2-10,19,21H,11H2,1H3,(H,18,20)
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n/an/a>4.00E+4n/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))
BDBM50447234
PNG
(CHEMBL3113152)
Show SMILES Oc1cc(Br)ccc1CNc1ccc(cc1)S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C16H14BrN3O3S2/c17-12-2-1-11(15(21)9-12)10-19-13-3-5-14(6-4-13)25(22,23)20-16-18-7-8-24-16/h1-9,19,21H,10H2,(H,18,20)
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n/an/a 2.20E+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))
BDBM50447219
PNG
(CHEMBL3113171)
Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2ncc(C)s2)c1O
Show InChI InChI=1S/C18H19N3O4S2/c1-12-10-20-18(26-12)21-27(23,24)15-8-6-14(7-9-15)19-11-13-4-3-5-16(25-2)17(13)22/h3-10,19,22H,11H2,1-2H3,(H,20,21)
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n/an/a 3.00E+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