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15 molecules are shown

Wt: 284.3
BDBM50129784
Purchase
Wt: 255.3
BDBM50293109
Wt: 259.2
BDBM50293110
Wt: 259.2
BDBM50293111
Wt: 271.3
BDBM50293118
Wt: 301.3
BDBM50293120
Wt: 271.3
BDBM50293122
Wt: 275.7
BDBM50293123
Wt: 347.4
BDBM50293126
Wt: 293.7
BDBM50293127
Wt: 266.3
BDBM50293128
Wt: 229.2
BDBM50293129
Purchase
Wt: 347.4
BDBM50293130
Wt: 241.3
BDBM50293105
Purchase
Wt: 259.2
BDBM50293106

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 43 hits for monomerid = 50129784,50293109,50293110,50293111,50293118,50293120,50293122,50293123,50293126,50293127,50293128,50293129,50293130,50293105,50293106   
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
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM50129784
PNG
(4-(6-Methoxybenzo[d]thiazol-2-yl)-N,N-dimethylanil...)
Show SMILES COc1ccc2nc(sc2c1)-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C16H16N2OS/c1-18(2)12-6-4-11(5-7-12)16-17-14-9-8-13(19-3)10-15(14)20-16/h4-10H,1-3H3
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1.90n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Binding affinity for Amyloid beta 1-40 aggregates in competition with [N-methyl-3H] BTA-1.


J Med Chem 46: 2740-54 (2003)


Article DOI: 10.1021/jm030026b
BindingDB Entry DOI: 10.7270/Q23R0S87
More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50293120
PNG
(2-(3,4-Dimethoxyphenyl)-6-methoxybenzo[d]thiazole ...)
Show SMILES COc1ccc2nc(sc2c1)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C16H15NO3S/c1-18-11-5-6-12-15(9-11)21-16(17-12)10-4-7-13(19-2)14(8-10)20-3/h4-9H,1-3H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of luciferin binding site of Photuris pennsylvanica luciferase by competitive KinaseGlo luminescent assay


J Med Chem 52: 1450-8 (2010)


Article DOI: 10.1021/jm8014525
BindingDB Entry DOI: 10.7270/Q2XD11PW
More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50293109
PNG
(6-Methoxy-2-m-tolylbenzo[d]thiazole | CHEMBL460507)
Show SMILES COc1ccc2nc(sc2c1)-c1cccc(C)c1
Show InChI InChI=1S/C15H13NOS/c1-10-4-3-5-11(8-10)15-16-13-7-6-12(17-2)9-14(13)18-15/h3-9H,1-2H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of luciferin binding site of Photuris pennsylvanica luciferase by competitive KinaseGlo luminescent assay


J Med Chem 52: 1450-8 (2010)


Article DOI: 10.1021/jm8014525
BindingDB Entry DOI: 10.7270/Q2XD11PW
More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50293105
PNG
(2-(4-Methoxyphenyl)benzo[d]thiazole | CHEMBL460508)
Show SMILES COc1ccc(cc1)-c1nc2ccccc2s1
Show InChI InChI=1S/C14H11NOS/c1-16-11-8-6-10(7-9-11)14-15-12-4-2-3-5-13(12)17-14/h2-9H,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of luciferin binding site of Photuris pennsylvanica luciferase by competitive KinaseGlo luminescent assay


J Med Chem 52: 1450-8 (2010)


Article DOI: 10.1021/jm8014525
BindingDB Entry DOI: 10.7270/Q2XD11PW
More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50293110
PNG
(2-(4-Fluorophenyl)-6-methoxybenzo[d]thiazole | 6-M...)
Show SMILES COc1ccc2nc(sc2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C14H10FNOS/c1-17-11-6-7-12-13(8-11)18-14(16-12)9-2-4-10(15)5-3-9/h2-8H,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of luciferin binding site of Photuris pennsylvanica luciferase by competitive KinaseGlo luminescent assay


J Med Chem 52: 1450-8 (2010)


Article DOI: 10.1021/jm8014525
BindingDB Entry DOI: 10.7270/Q2XD11PW
More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50293106
PNG
(2-(2-Fluorophenyl)-6-methoxybenzo[d]thiazole | CHE...)
Show SMILES COc1ccc2nc(sc2c1)-c1ccccc1F
Show InChI InChI=1S/C14H10FNOS/c1-17-9-6-7-12-13(8-9)18-14(16-12)10-4-2-3-5-11(10)15/h2-8H,1H3
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n/an/a 500n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of luciferin binding site of Photuris pennsylvanica luciferase by competitive inhibition assay


J Med Chem 52: 1450-8 (2010)


Article DOI: 10.1021/jm8014525
BindingDB Entry DOI: 10.7270/Q2XD11PW
More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50293127
PNG
(2-(2-Chloro-4-fluorophenyl)-6-methoxybenzo[d]thiaz...)
Show SMILES COc1ccc2nc(sc2c1)-c1ccc(F)cc1Cl
Show InChI InChI=1S/C14H9ClFNOS/c1-18-9-3-5-12-13(7-9)19-14(17-12)10-4-2-8(16)6-11(10)15/h2-7H,1H3
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n/an/a 4.90E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of luciferin binding site of Photuris pennsylvanica luciferase by competitive inhibition assay


J Med Chem 52: 1450-8 (2010)


Article DOI: 10.1021/jm8014525
BindingDB Entry DOI: 10.7270/Q2XD11PW
More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50293123
PNG
(2-(4-Chlorophenyl)-6-methoxybenzo[d]thiazole | CHE...)
Show SMILES COc1ccc2nc(sc2c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C14H10ClNOS/c1-17-11-6-7-12-13(8-11)18-14(16-12)9-2-4-10(15)5-3-9/h2-8H,1H3
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n/an/a 3.80E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of luciferin binding site of Photuris pennsylvanica luciferase by competitive inhibition assay


J Med Chem 52: 1450-8 (2010)


Article DOI: 10.1021/jm8014525
BindingDB Entry DOI: 10.7270/Q2XD11PW
More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50293118
PNG
(6-Methoxy-2-(4-methoxyphenyl)benzo[d]thiazole | CH...)
Show SMILES COc1ccc(cc1)-c1nc2ccc(OC)cc2s1
Show InChI InChI=1S/C15H13NO2S/c1-17-11-5-3-10(4-6-11)15-16-13-8-7-12(18-2)9-14(13)19-15/h3-9H,1-2H3
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n/an/a 4.10E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of luciferin binding site of Photuris pennsylvanica luciferase by competitive inhibition assay


J Med Chem 52: 1450-8 (2010)


Article DOI: 10.1021/jm8014525
BindingDB Entry DOI: 10.7270/Q2XD11PW
More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50293122
PNG
(6-Methoxy-2-(2-methoxyphenyl)benzo[d]thiazole | CH...)
Show SMILES COc1ccc2nc(sc2c1)-c1ccccc1OC
Show InChI InChI=1S/C15H13NO2S/c1-17-10-7-8-12-14(9-10)19-15(16-12)11-5-3-4-6-13(11)18-2/h3-9H,1-2H3
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n/an/a 5.60E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of luciferin binding site of Photuris pennsylvanica luciferase by competitive inhibition assay


J Med Chem 52: 1450-8 (2010)


Article DOI: 10.1021/jm8014525
BindingDB Entry DOI: 10.7270/Q2XD11PW
More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50293120
PNG
(2-(3,4-Dimethoxyphenyl)-6-methoxybenzo[d]thiazole ...)
Show SMILES COc1ccc2nc(sc2c1)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C16H15NO3S/c1-18-11-5-6-12-15(9-11)21-16(17-12)10-4-7-13(19-2)14(8-10)20-3/h4-9H,1-3H3
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n/an/a 3.80E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of luciferin binding site of Photuris pennsylvanica luciferase by competitive inhibition assay


J Med Chem 52: 1450-8 (2010)


Article DOI: 10.1021/jm8014525
BindingDB Entry DOI: 10.7270/Q2XD11PW
More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50293111
PNG
(2-(3-Fluorophenyl)-6-methoxybenzo[d]thiazole | CHE...)
Show SMILES COc1ccc2nc(sc2c1)-c1cccc(F)c1
Show InChI InChI=1S/C14H10FNOS/c1-17-11-5-6-12-13(8-11)18-14(16-12)9-3-2-4-10(15)7-9/h2-8H,1H3
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n/an/a 1.10E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of luciferin binding site of Photuris pennsylvanica luciferase by competitive inhibition assay


J Med Chem 52: 1450-8 (2010)


Article DOI: 10.1021/jm8014525
BindingDB Entry DOI: 10.7270/Q2XD11PW
More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50293105
PNG
(2-(4-Methoxyphenyl)benzo[d]thiazole | CHEMBL460508)
Show SMILES COc1ccc(cc1)-c1nc2ccccc2s1
Show InChI InChI=1S/C14H11NOS/c1-16-11-8-6-10(7-9-11)14-15-12-4-2-3-5-13(12)17-14/h2-9H,1H3
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n/an/a 360n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of luciferin binding site of Photuris pennsylvanica luciferase by competitive inhibition assay


J Med Chem 52: 1450-8 (2010)


Article DOI: 10.1021/jm8014525
BindingDB Entry DOI: 10.7270/Q2XD11PW
More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photinus pyralis)
BDBM50293106
PNG
(2-(2-Fluorophenyl)-6-methoxybenzo[d]thiazole | CHE...)
Show SMILES COc1ccc2nc(sc2c1)-c1ccccc1F
Show InChI InChI=1S/C14H10FNOS/c1-17-9-6-7-12-13(8-9)18-14(16-12)10-4-2-3-5-11(10)15/h2-8H,1H3
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n/an/a 600n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of luciferin binding site of Photinus pyralis luciferase by competitive inhibition assay


J Med Chem 52: 1450-8 (2010)


Article DOI: 10.1021/jm8014525
BindingDB Entry DOI: 10.7270/Q2XD11PW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50293109
PNG
(6-Methoxy-2-m-tolylbenzo[d]thiazole | CHEMBL460507)
Show SMILES COc1ccc2nc(sc2c1)-c1cccc(C)c1
Show InChI InChI=1S/C15H13NOS/c1-10-4-3-5-11(8-10)15-16-13-7-6-12(17-2)9-14(13)18-15/h3-9H,1-2H3
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n/an/a 670n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of luciferin binding site of Photuris pennsylvanica luciferase by competitive inhibition assay


J Med Chem 52: 1450-8 (2010)


Article DOI: 10.1021/jm8014525
BindingDB Entry DOI: 10.7270/Q2XD11PW
More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photinus pyralis)
BDBM50129784
PNG
(4-(6-Methoxybenzo[d]thiazol-2-yl)-N,N-dimethylanil...)
Show SMILES COc1ccc2nc(sc2c1)-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C16H16N2OS/c1-18(2)12-6-4-11(5-7-12)16-17-14-9-8-13(19-3)10-15(14)20-16/h4-10H,1-3H3
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n/an/a 700n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of luciferin binding site of Photinus pyralis luciferase by competitive inhibition assay


J Med Chem 52: 1450-8 (2010)


Article DOI: 10.1021/jm8014525
BindingDB Entry DOI: 10.7270/Q2XD11PW
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50293110
PNG
(2-(4-Fluorophenyl)-6-methoxybenzo[d]thiazole | 6-M...)
Show SMILES COc1ccc2nc(sc2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C14H10FNOS/c1-17-11-6-7-12-13(8-11)18-14(16-12)9-2-4-10(15)5-3-9/h2-8H,1H3
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n/an/a 860n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of luciferin binding site of Photuris pennsylvanica luciferase by competitive inhibition assay


J Med Chem 52: 1450-8 (2010)


Article DOI: 10.1021/jm8014525
BindingDB Entry DOI: 10.7270/Q2XD11PW
More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photinus pyralis)
BDBM50293105
PNG
(2-(4-Methoxyphenyl)benzo[d]thiazole | CHEMBL460508)
Show SMILES COc1ccc(cc1)-c1nc2ccccc2s1
Show InChI InChI=1S/C14H11NOS/c1-16-11-8-6-10(7-9-11)14-15-12-4-2-3-5-13(12)17-14/h2-9H,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of luciferin binding site of Photinus pyralis luciferase by competitive inhibition assay


J Med Chem 52: 1450-8 (2010)


Article DOI: 10.1021/jm8014525
BindingDB Entry DOI: 10.7270/Q2XD11PW
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Luciferin 4-monooxygenase


(Photinus pyralis)
BDBM50293110
PNG
(2-(4-Fluorophenyl)-6-methoxybenzo[d]thiazole | 6-M...)
Show SMILES COc1ccc2nc(sc2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C14H10FNOS/c1-17-11-6-7-12-13(8-11)18-14(16-12)9-2-4-10(15)5-3-9/h2-8H,1H3
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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 luciferin binding site of Photinus pyralis luciferase by competitive inhibition assay


J Med Chem 52: 1450-8 (2010)


Article DOI: 10.1021/jm8014525
BindingDB Entry DOI: 10.7270/Q2XD11PW
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Luciferin 4-monooxygenase


(Photinus pyralis)
BDBM50293111
PNG
(2-(3-Fluorophenyl)-6-methoxybenzo[d]thiazole | CHE...)
Show SMILES COc1ccc2nc(sc2c1)-c1cccc(F)c1
Show InChI InChI=1S/C14H10FNOS/c1-17-11-5-6-12-13(8-11)18-14(16-12)9-3-2-4-10(15)7-9/h2-8H,1H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of luciferin binding site of Photinus pyralis luciferase by competitive inhibition assay


J Med Chem 52: 1450-8 (2010)


Article DOI: 10.1021/jm8014525
BindingDB Entry DOI: 10.7270/Q2XD11PW
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Luciferin 4-monooxygenase


(Photinus pyralis)
BDBM50293109
PNG
(6-Methoxy-2-m-tolylbenzo[d]thiazole | CHEMBL460507)
Show SMILES COc1ccc2nc(sc2c1)-c1cccc(C)c1
Show InChI InChI=1S/C15H13NOS/c1-10-4-3-5-11(8-10)15-16-13-7-6-12(17-2)9-14(13)18-15/h3-9H,1-2H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of luciferin binding site of Photinus pyralis luciferase by competitive inhibition assay


J Med Chem 52: 1450-8 (2010)


Article DOI: 10.1021/jm8014525
BindingDB Entry DOI: 10.7270/Q2XD11PW
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Luciferin 4-monooxygenase


(Photinus pyralis)
BDBM50293118
PNG
(6-Methoxy-2-(4-methoxyphenyl)benzo[d]thiazole | CH...)
Show SMILES COc1ccc(cc1)-c1nc2ccc(OC)cc2s1
Show InChI InChI=1S/C15H13NO2S/c1-17-11-5-3-10(4-6-11)15-16-13-8-7-12(18-2)9-14(13)19-15/h3-9H,1-2H3
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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 luciferin binding site of Photinus pyralis luciferase by competitive inhibition assay


J Med Chem 52: 1450-8 (2010)


Article DOI: 10.1021/jm8014525
BindingDB Entry DOI: 10.7270/Q2XD11PW
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Luciferin 4-monooxygenase


(Photinus pyralis)
BDBM50293120
PNG
(2-(3,4-Dimethoxyphenyl)-6-methoxybenzo[d]thiazole ...)
Show SMILES COc1ccc2nc(sc2c1)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C16H15NO3S/c1-18-11-5-6-12-15(9-11)21-16(17-12)10-4-7-13(19-2)14(8-10)20-3/h4-9H,1-3H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of luciferin binding site of Photinus pyralis luciferase by competitive inhibition assay


J Med Chem 52: 1450-8 (2010)


Article DOI: 10.1021/jm8014525
BindingDB Entry DOI: 10.7270/Q2XD11PW
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Luciferin 4-monooxygenase


(Photinus pyralis)
BDBM50293122
PNG
(6-Methoxy-2-(2-methoxyphenyl)benzo[d]thiazole | CH...)
Show SMILES COc1ccc2nc(sc2c1)-c1ccccc1OC
Show InChI InChI=1S/C15H13NO2S/c1-17-10-7-8-12-14(9-10)19-15(16-12)11-5-3-4-6-13(11)18-2/h3-9H,1-2H3
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n/an/a 3.20E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of luciferin binding site of Photinus pyralis luciferase by competitive inhibition assay


J Med Chem 52: 1450-8 (2010)


Article DOI: 10.1021/jm8014525
BindingDB Entry DOI: 10.7270/Q2XD11PW
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Luciferin 4-monooxygenase


(Photinus pyralis)
BDBM50293123
PNG
(2-(4-Chlorophenyl)-6-methoxybenzo[d]thiazole | CHE...)
Show SMILES COc1ccc2nc(sc2c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C14H10ClNOS/c1-17-11-6-7-12-13(8-11)18-14(16-12)9-2-4-10(15)5-3-9/h2-8H,1H3
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n/an/a 3.50E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of luciferin binding site of Photinus pyralis luciferase by competitive inhibition assay


J Med Chem 52: 1450-8 (2010)


Article DOI: 10.1021/jm8014525
BindingDB Entry DOI: 10.7270/Q2XD11PW
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50129784
PNG
(4-(6-Methoxybenzo[d]thiazol-2-yl)-N,N-dimethylanil...)
Show SMILES COc1ccc2nc(sc2c1)-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C16H16N2OS/c1-18(2)12-6-4-11(5-7-12)16-17-14-9-8-13(19-3)10-15(14)20-16/h4-10H,1-3H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of luciferin binding site of Photuris pennsylvanica luciferase by competitive KinaseGlo luminescent assay


J Med Chem 52: 1450-8 (2010)


Article DOI: 10.1021/jm8014525
BindingDB Entry DOI: 10.7270/Q2XD11PW
More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photinus pyralis)
BDBM50293127
PNG
(2-(2-Chloro-4-fluorophenyl)-6-methoxybenzo[d]thiaz...)
Show SMILES COc1ccc2nc(sc2c1)-c1ccc(F)cc1Cl
Show InChI InChI=1S/C14H9ClFNOS/c1-18-9-3-5-12-13(7-9)19-14(17-12)10-4-2-8(16)6-11(10)15/h2-7H,1H3
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n/an/a 5.40E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of luciferin binding site of Photinus pyralis luciferase by competitive inhibition assay


J Med Chem 52: 1450-8 (2010)


Article DOI: 10.1021/jm8014525
BindingDB Entry DOI: 10.7270/Q2XD11PW
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Luciferin 4-monooxygenase


(Photinus pyralis)
BDBM50293128
PNG
(4-(6-Methoxybenzo[d]thiazol-2-yl)benzonitrile | CH...)
Show SMILES COc1ccc2nc(sc2c1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C15H10N2OS/c1-18-12-6-7-13-14(8-12)19-15(17-13)11-4-2-10(9-16)3-5-11/h2-8H,1H3
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n/an/a 5.70E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of luciferin binding site of Photinus pyralis luciferase by competitive inhibition assay


J Med Chem 52: 1450-8 (2010)


Article DOI: 10.1021/jm8014525
BindingDB Entry DOI: 10.7270/Q2XD11PW
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50293128
PNG
(4-(6-Methoxybenzo[d]thiazol-2-yl)benzonitrile | CH...)
Show SMILES COc1ccc2nc(sc2c1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C15H10N2OS/c1-18-12-6-7-13-14(8-12)19-15(17-13)11-4-2-10(9-16)3-5-11/h2-8H,1H3
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n/an/a 6.10E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of luciferin binding site of Photuris pennsylvanica luciferase by competitive inhibition assay


J Med Chem 52: 1450-8 (2010)


Article DOI: 10.1021/jm8014525
BindingDB Entry DOI: 10.7270/Q2XD11PW
More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50293129
PNG
(2-(3-Fluorophenyl)benzo[d]thiazole | CHEMBL506342)
Show SMILES Fc1cccc(c1)-c1nc2ccccc2s1
Show InChI InChI=1S/C13H8FNS/c14-10-5-3-4-9(8-10)13-15-11-6-1-2-7-12(11)16-13/h1-8H
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n/an/a 7.80E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of luciferin binding site of Photuris pennsylvanica luciferase by competitive inhibition assay


J Med Chem 52: 1450-8 (2010)


Article DOI: 10.1021/jm8014525
BindingDB Entry DOI: 10.7270/Q2XD11PW
More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photinus pyralis)
BDBM50293126
PNG
(2-(2-(Benzyloxy)phenyl)-6-methoxybenzo[d]thiazole ...)
Show SMILES COc1ccc2nc(sc2c1)-c1ccccc1OCc1ccccc1
Show InChI InChI=1S/C21H17NO2S/c1-23-16-11-12-18-20(13-16)25-21(22-18)17-9-5-6-10-19(17)24-14-15-7-3-2-4-8-15/h2-13H,14H2,1H3
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n/an/a 8.90E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of luciferin binding site of Photinus pyralis luciferase by competitive inhibition assay


J Med Chem 52: 1450-8 (2010)


Article DOI: 10.1021/jm8014525
BindingDB Entry DOI: 10.7270/Q2XD11PW
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Luciferin 4-monooxygenase


(Photinus pyralis)
BDBM50293130
PNG
(2-(3-(Benzyloxy)phenyl)-6-methoxybenzo[d]thiazole ...)
Show SMILES COc1ccc2nc(sc2c1)-c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C21H17NO2S/c1-23-17-10-11-19-20(13-17)25-21(22-19)16-8-5-9-18(12-16)24-14-15-6-3-2-4-7-15/h2-13H,14H2,1H3
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n/an/a 1.34E+4n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of luciferin binding site of Photinus pyralis luciferase by competitive inhibition assay


J Med Chem 52: 1450-8 (2010)


Article DOI: 10.1021/jm8014525
BindingDB Entry DOI: 10.7270/Q2XD11PW
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Luciferin 4-monooxygenase


(Photinus pyralis)
BDBM50293129
PNG
(2-(3-Fluorophenyl)benzo[d]thiazole | CHEMBL506342)
Show SMILES Fc1cccc(c1)-c1nc2ccccc2s1
Show InChI InChI=1S/C13H8FNS/c14-10-5-3-4-9(8-10)13-15-11-6-1-2-7-12(11)16-13/h1-8H
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National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of luciferin binding site of Photinus pyralis luciferase by competitive inhibition assay


J Med Chem 52: 1450-8 (2010)


Article DOI: 10.1021/jm8014525
BindingDB Entry DOI: 10.7270/Q2XD11PW
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50293130
PNG
(2-(3-(Benzyloxy)phenyl)-6-methoxybenzo[d]thiazole ...)
Show SMILES COc1ccc2nc(sc2c1)-c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C21H17NO2S/c1-23-17-10-11-19-20(13-17)25-21(22-19)16-8-5-9-18(12-16)24-14-15-6-3-2-4-7-15/h2-13H,14H2,1H3
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n/an/a 3.00E+4n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of luciferin binding site of Photuris pennsylvanica luciferase by competitive inhibition assay


J Med Chem 52: 1450-8 (2010)


Article DOI: 10.1021/jm8014525
BindingDB Entry DOI: 10.7270/Q2XD11PW
More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50293111
PNG
(2-(3-Fluorophenyl)-6-methoxybenzo[d]thiazole | CHE...)
Show SMILES COc1ccc2nc(sc2c1)-c1cccc(F)c1
Show InChI InChI=1S/C14H10FNOS/c1-17-11-5-6-12-13(8-11)18-14(16-12)9-3-2-4-10(15)7-9/h2-8H,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of luciferin binding site of Photuris pennsylvanica luciferase by competitive KinaseGlo luminescent assay


J Med Chem 52: 1450-8 (2010)


Article DOI: 10.1021/jm8014525
BindingDB Entry DOI: 10.7270/Q2XD11PW
More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50293106
PNG
(2-(2-Fluorophenyl)-6-methoxybenzo[d]thiazole | CHE...)
Show SMILES COc1ccc2nc(sc2c1)-c1ccccc1F
Show InChI InChI=1S/C14H10FNOS/c1-17-9-6-7-12-13(8-9)18-14(16-12)10-4-2-3-5-11(10)15/h2-8H,1H3
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National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of luciferin binding site of Photuris pennsylvanica luciferase by competitive KinaseGlo luminescent assay


J Med Chem 52: 1450-8 (2010)


Article DOI: 10.1021/jm8014525
BindingDB Entry DOI: 10.7270/Q2XD11PW
More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50293127
PNG
(2-(2-Chloro-4-fluorophenyl)-6-methoxybenzo[d]thiaz...)
Show SMILES COc1ccc2nc(sc2c1)-c1ccc(F)cc1Cl
Show InChI InChI=1S/C14H9ClFNOS/c1-18-9-3-5-12-13(7-9)19-14(17-12)10-4-2-8(16)6-11(10)15/h2-7H,1H3
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National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of luciferin binding site of Photuris pennsylvanica luciferase by competitive KinaseGlo luminescent assay


J Med Chem 52: 1450-8 (2010)


Article DOI: 10.1021/jm8014525
BindingDB Entry DOI: 10.7270/Q2XD11PW
More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50293123
PNG
(2-(4-Chlorophenyl)-6-methoxybenzo[d]thiazole | CHE...)
Show SMILES COc1ccc2nc(sc2c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C14H10ClNOS/c1-17-11-6-7-12-13(8-11)18-14(16-12)9-2-4-10(15)5-3-9/h2-8H,1H3
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National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of luciferin binding site of Photuris pennsylvanica luciferase by competitive KinaseGlo luminescent assay


J Med Chem 52: 1450-8 (2010)


Article DOI: 10.1021/jm8014525
BindingDB Entry DOI: 10.7270/Q2XD11PW
More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50293126
PNG
(2-(2-(Benzyloxy)phenyl)-6-methoxybenzo[d]thiazole ...)
Show SMILES COc1ccc2nc(sc2c1)-c1ccccc1OCc1ccccc1
Show InChI InChI=1S/C21H17NO2S/c1-23-16-11-12-18-20(13-16)25-21(22-18)17-9-5-6-10-19(17)24-14-15-7-3-2-4-8-15/h2-13H,14H2,1H3
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National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of luciferin binding site of Photuris pennsylvanica luciferase by competitive KinaseGlo luminescent assay


J Med Chem 52: 1450-8 (2010)


Article DOI: 10.1021/jm8014525
BindingDB Entry DOI: 10.7270/Q2XD11PW
More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50293118
PNG
(6-Methoxy-2-(4-methoxyphenyl)benzo[d]thiazole | CH...)
Show SMILES COc1ccc(cc1)-c1nc2ccc(OC)cc2s1
Show InChI InChI=1S/C15H13NO2S/c1-17-11-5-3-10(4-6-11)15-16-13-8-7-12(18-2)9-14(13)19-15/h3-9H,1-2H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of luciferin binding site of Photuris pennsylvanica luciferase by competitive KinaseGlo luminescent assay


J Med Chem 52: 1450-8 (2010)


Article DOI: 10.1021/jm8014525
BindingDB Entry DOI: 10.7270/Q2XD11PW
More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50293122
PNG
(6-Methoxy-2-(2-methoxyphenyl)benzo[d]thiazole | CH...)
Show SMILES COc1ccc2nc(sc2c1)-c1ccccc1OC
Show InChI InChI=1S/C15H13NO2S/c1-17-10-7-8-12-14(9-10)19-15(16-12)11-5-3-4-6-13(11)18-2/h3-9H,1-2H3
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National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of luciferin binding site of Photuris pennsylvanica luciferase by competitive KinaseGlo luminescent assay


J Med Chem 52: 1450-8 (2010)


Article DOI: 10.1021/jm8014525
BindingDB Entry DOI: 10.7270/Q2XD11PW
More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50129784
PNG
(4-(6-Methoxybenzo[d]thiazol-2-yl)-N,N-dimethylanil...)
Show SMILES COc1ccc2nc(sc2c1)-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C16H16N2OS/c1-18(2)12-6-4-11(5-7-12)16-17-14-9-8-13(19-3)10-15(14)20-16/h4-10H,1-3H3
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National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of luciferin binding site of Photuris pennsylvanica luciferase by competitive inhibition assay


J Med Chem 52: 1450-8 (2010)


Article DOI: 10.1021/jm8014525
BindingDB Entry DOI: 10.7270/Q2XD11PW
More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50293126
PNG
(2-(2-(Benzyloxy)phenyl)-6-methoxybenzo[d]thiazole ...)
Show SMILES COc1ccc2nc(sc2c1)-c1ccccc1OCc1ccccc1
Show InChI InChI=1S/C21H17NO2S/c1-23-16-11-12-18-20(13-16)25-21(22-18)17-9-5-6-10-19(17)24-14-15-7-3-2-4-8-15/h2-13H,14H2,1H3
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n/an/a 4.30E+3n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of luciferin binding site of Photuris pennsylvanica luciferase by competitive inhibition assay


J Med Chem 52: 1450-8 (2010)


Article DOI: 10.1021/jm8014525
BindingDB Entry DOI: 10.7270/Q2XD11PW
More data for this
Ligand-Target Pair