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Compile Data Set for Download or QSAR

Found 76 hits Enz. Inhib. hit(s) with Target = 'Luciferin 4-monooxygenase' AND taxid = 1710587   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50238226
PNG
(2-(5-biphenyl-4-yl-[1,2,4]oxadiazol-3-yl)-pyridine...)
Show SMILES c1ccc(cc1)-c1ccc(cc1)-c1nc(no1)-c1ccccn1
Show InChI InChI=1S/C19H13N3O/c1-2-6-14(7-3-1)15-9-11-16(12-10-15)19-21-18(22-23-19)17-8-4-5-13-20-17/h1-13H
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n/an/a 38n/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 noncompetitive inhibition assay


J Med Chem 52: 1450-8 (2010)

More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50293100
PNG
(3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl biphenyl-4-c...)
Show SMILES O=C(Oc1nc(no1)-c1ccccn1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H13N3O3/c24-19(16-11-9-15(10-12-16)14-6-2-1-3-7-14)25-20-22-18(23-26-20)17-8-4-5-13-21-17/h1-13H
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n/an/a 40n/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 noncompetitive inhibition assay


J Med Chem 52: 1450-8 (2010)

More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50293101
PNG
(5-(2,4-dimethoxyphenyl)-3-phenyl-1,2,4-oxadiazole ...)
Show SMILES COc1ccc(-c2nc(no2)-c2ccccc2)c(OC)c1
Show InChI InChI=1S/C16H14N2O3/c1-19-12-8-9-13(14(10-12)20-2)16-17-15(18-21-16)11-6-4-3-5-7-11/h3-10H,1-2H3
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n/an/a 54n/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 noncompetitive inhibition assay


J Med Chem 52: 1450-8 (2010)

More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50293102
PNG
(5-(2-methoxyphenyl)-3-(pyridin-2-yl)-1,2,4-oxadiaz...)
Show SMILES COc1ccccc1-c1nc(no1)-c1ccccn1
Show InChI InChI=1S/C14H11N3O2/c1-18-12-8-3-2-6-10(12)14-16-13(17-19-14)11-7-4-5-9-15-11/h2-9H,1H3
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n/an/a 80n/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 noncompetitive inhibition assay


J Med Chem 52: 1450-8 (2010)

More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50293103
PNG
(5-(2-fluorophenyl)-3-(4-methoxyphenyl)-1,2,4-oxadi...)
Show SMILES COc1ccc(cc1)-c1noc(n1)-c1ccccc1F
Show InChI InChI=1S/C15H11FN2O2/c1-19-11-8-6-10(7-9-11)14-17-15(20-18-14)12-4-2-3-5-13(12)16/h2-9H,1H3
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n/an/a 300n/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 noncompetitive inhibition assay


J Med Chem 52: 1450-8 (2010)

More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50293104
PNG
(4-(5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl)-N,N-d...)
Show SMILES COc1ccccc1-c1nc(no1)-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H17N3O2/c1-20(2)13-10-8-12(9-11-13)16-18-17(22-19-16)14-6-4-5-7-15(14)21-3/h4-11H,1-3H3
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n/an/a 320n/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 noncompetitive inhibition assay


J Med Chem 52: 1450-8 (2010)

More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50129791
PNG
((4-Benzothiazol-2-yl-phenyl)-dimethyl-amine | 4-(B...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ccccc2s1
Show InChI InChI=1S/C15H14N2S/c1-17(2)12-9-7-11(8-10-12)15-16-13-5-3-4-6-14(13)18-15/h3-10H,1-2H3
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n/an/a 320n/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)

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)

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)

More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50293107
PNG
(5-(4-fluorophenyl)-3-m-tolyl-1,2,4-oxadiazole | CH...)
Show SMILES Cc1cccc(c1)-c1noc(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C15H11FN2O/c1-10-3-2-4-12(9-10)14-17-15(19-18-14)11-5-7-13(16)8-6-11/h2-9H,1H3
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n/an/a 580n/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 noncompetitive inhibition assay


J Med Chem 52: 1450-8 (2010)

More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50293108
PNG
(3-(2-methoxyphenyl)-5-phenyl-1,2,4-oxadiazole | CH...)
Show SMILES COc1ccccc1-c1noc(n1)-c1ccccc1
Show InChI InChI=1S/C15H12N2O2/c1-18-13-10-6-5-9-12(13)14-16-15(19-17-14)11-7-3-2-4-8-11/h2-10H,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 Photuris pennsylvanica luciferase by noncompetitive inhibition assay


J Med Chem 52: 1450-8 (2010)

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 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)

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 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)

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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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)

More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50293112
PNG
(5-(furan-2-yl)-3-(pyridin-2-yl)-1,2,4-oxadiazole |...)
Show SMILES c1coc(c1)-c1nc(no1)-c1ccccn1
Show InChI InChI=1S/C11H7N3O2/c1-2-6-12-8(4-1)10-13-11(16-14-10)9-5-3-7-15-9/h1-7H
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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 Photuris pennsylvanica luciferase by noncompetitive inhibition assay


J Med Chem 52: 1450-8 (2010)

More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50293113
PNG
(2-(4-Chlorophenyl)benzo[d]thiazole | CHEMBL449008)
Show SMILES Clc1ccc(cc1)-c1nc2ccccc2s1
Show InChI InChI=1S/C13H8ClNS/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8H
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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 luciferin binding site of Photuris pennsylvanica luciferase by competitive inhibition assay


J Med Chem 52: 1450-8 (2010)

More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50293114
PNG
(CHEMBL462620 | N-(3-(6-Methoxybenzo[d]thiazol-2-yl...)
Show SMILES COc1ccc2nc(sc2c1)-c1cccc(NC(C)=O)c1
Show InChI InChI=1S/C16H14N2O2S/c1-10(19)17-12-5-3-4-11(8-12)16-18-14-7-6-13(20-2)9-15(14)21-16/h3-9H,1-2H3,(H,17,19)
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n/an/a 1.90E+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)

More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50293116
PNG
(3-(pyridin-2-yl)-5-(pyridin-4-yl)-1,2,4-oxadiazole...)
Show SMILES c1ccc(nc1)-c1noc(n1)-c1ccncc1
Show InChI InChI=1S/C12H8N4O/c1-2-6-14-10(3-1)11-15-12(17-16-11)9-4-7-13-8-5-9/h1-8H
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n/an/a 1.90E+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 noncompetitive inhibition assay


J Med Chem 52: 1450-8 (2010)

More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50293115
PNG
(2-(3,4-Dimethoxyphenyl)benzo[d]thiazol | 2-(3,4-di...)
Show SMILES COc1ccc(cc1OC)-c1nc2ccccc2s1
Show InChI InChI=1S/C15H13NO2S/c1-17-12-8-7-10(9-13(12)18-2)15-16-11-5-3-4-6-14(11)19-15/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 inhibition assay


J Med Chem 52: 1450-8 (2010)

More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50293117
PNG
(4-(Benzo[d]thiazol-2-yl)benzonitrile | CHEMBL46261...)
Show SMILES N#Cc1ccc(cc1)-c1nc2ccccc2s1
Show InChI InChI=1S/C14H8N2S/c15-9-10-5-7-11(8-6-10)14-16-12-3-1-2-4-13(12)17-14/h1-8H
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n/an/a 2.10E+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)

More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50293119
PNG
(5-(furan-2-yl)-3-(pyridin-4-yl)-1,2,4-oxadiazole |...)
Show SMILES c1coc(c1)-c1nc(no1)-c1ccncc1
Show InChI InChI=1S/C11H7N3O2/c1-2-9(15-7-1)11-13-10(14-16-11)8-3-5-12-6-4-8/h1-7H
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n/an/a 2.40E+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 noncompetitive inhibition assay


J Med Chem 52: 1450-8 (2010)

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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n/an/a 2.70E+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)

More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50293121
PNG
(CHEMBL129236 | N-(4-(benzo[d]thiazol-2-yl)phenyl)a...)
Show SMILES CC(=O)Nc1ccc(cc1)-c1nc2ccccc2s1
Show InChI InChI=1S/C15H12N2OS/c1-10(18)16-12-8-6-11(7-9-12)15-17-13-4-2-3-5-14(13)19-15/h2-9H,1H3,(H,16,18)
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n/an/a 3.10E+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)

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)

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)

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)

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)

More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50293125
PNG
(3-(2-methoxyphenyl)-5-(pyridin-4-yl)-1,2,4-oxadiaz...)
Show SMILES COc1ccccc1-c1noc(n1)-c1ccncc1
Show InChI InChI=1S/C14H11N3O2/c1-18-12-5-3-2-4-11(12)13-16-14(19-17-13)10-6-8-15-9-7-10/h2-9H,1H3
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n/an/a 4.80E+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 noncompetitive inhibition assay


J Med Chem 52: 1450-8 (2010)

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)

More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50293102
PNG
(5-(2-methoxyphenyl)-3-(pyridin-2-yl)-1,2,4-oxadiaz...)
Show SMILES COc1ccccc1-c1nc(no1)-c1ccccn1
Show InChI InChI=1S/C14H11N3O2/c1-18-12-8-3-2-6-10(12)14-16-13(17-19-14)11-7-4-5-9-15-11/h2-9H,1H3
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n/an/a 5.00E+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 noncompetitive KinaseGlo luminescent assay


J Med Chem 52: 1450-8 (2010)

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)

More data for this
Ligand-Target Pair
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)

More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50293124
PNG
(2-(2-Methoxyphenyl)benzo[d]thiazole | CHEMBL499212)
Show SMILES COc1ccccc1-c1nc2ccccc2s1
Show InChI InChI=1S/C14H11NOS/c1-16-12-8-4-2-6-10(12)14-15-11-7-3-5-9-13(11)17-14/h2-9H,1H3
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n/an/a 7.70E+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)

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)

More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50293116
PNG
(3-(pyridin-2-yl)-5-(pyridin-4-yl)-1,2,4-oxadiazole...)
Show SMILES c1ccc(nc1)-c1noc(n1)-c1ccncc1
Show InChI InChI=1S/C12H8N4O/c1-2-6-14-10(3-1)11-15-12(17-16-11)9-4-7-13-8-5-9/h1-8H
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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 Photuris pennsylvanica luciferase by noncompetitive KinaseGlo luminescent assay


J Med Chem 52: 1450-8 (2010)

More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50238214
PNG
((2-(4-ethoxyphenyl)quinolin-4-yl)(4-(pyridin-2-yl)...)
Show SMILES CCOc1ccc(cc1)-c1cc(C(=O)N2CCN(CC2)c2ccccn2)c2ccccc2n1
Show InChI InChI=1S/C27H26N4O2/c1-2-33-21-12-10-20(11-13-21)25-19-23(22-7-3-4-8-24(22)29-25)27(32)31-17-15-30(16-18-31)26-9-5-6-14-28-26/h3-14,19H,2,15-18H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of adenylate binding site of Photuris pennsylvanica luciferase by quantitative high throughput screening


J Med Chem 52: 1450-8 (2010)

More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50238221
PNG
((4-(pyrimidin-2-yl)piperazin-1-yl)(2-p-tolylquinol...)
Show SMILES Cc1ccc(cc1)-c1cc(C(=O)N2CCN(CC2)c2ncccn2)c2ccccc2n1
Show InChI InChI=1S/C25H23N5O/c1-18-7-9-19(10-8-18)23-17-21(20-5-2-3-6-22(20)28-23)24(31)29-13-15-30(16-14-29)25-26-11-4-12-27-25/h2-12,17H,13-16H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of adenylate binding site of Photuris pennsylvanica luciferase by quantitative high throughput screening


J Med Chem 52: 1450-8 (2010)

More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50293100
PNG
(3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl biphenyl-4-c...)
Show SMILES O=C(Oc1nc(no1)-c1ccccn1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H13N3O3/c24-19(16-11-9-15(10-12-16)14-6-2-1-3-7-14)25-20-22-18(23-26-20)17-8-4-5-13-21-17/h1-13H
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n/an/a 1.00E+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 noncompetitive KinaseGlo luminescent assay


J Med Chem 52: 1450-8 (2010)

More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50129791
PNG
((4-Benzothiazol-2-yl-phenyl)-dimethyl-amine | 4-(B...)
Show SMILES CN(C)c1ccc(cc1)-c1nc2ccccc2s1
Show InChI InChI=1S/C15H14N2S/c1-17(2)12-9-7-11(8-10-12)15-16-13-5-3-4-6-14(13)18-15/h3-10H,1-2H3
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n/an/a 1.07E+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)

More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50238226
PNG
(2-(5-biphenyl-4-yl-[1,2,4]oxadiazol-3-yl)-pyridine...)
Show SMILES c1ccc(cc1)-c1ccc(cc1)-c1nc(no1)-c1ccccn1
Show InChI InChI=1S/C19H13N3O/c1-2-6-14(7-3-1)15-9-11-16(12-10-15)19-21-18(22-23-19)17-8-4-5-13-20-17/h1-13H
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n/an/a 1.13E+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 noncompetitive KinaseGlo luminescent assay


J Med Chem 52: 1450-8 (2010)

More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50293102
PNG
(5-(2-methoxyphenyl)-3-(pyridin-2-yl)-1,2,4-oxadiaz...)
Show SMILES COc1ccccc1-c1nc(no1)-c1ccccn1
Show InChI InChI=1S/C14H11N3O2/c1-18-12-8-3-2-6-10(12)14-16-13(17-19-14)11-7-4-5-9-15-11/h2-9H,1H3
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n/an/a 1.27E+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 noncompetitive KinaseGlo Plus Max luminescent assay


J Med Chem 52: 1450-8 (2010)

More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50293100
PNG
(3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl biphenyl-4-c...)
Show SMILES O=C(Oc1nc(no1)-c1ccccn1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H13N3O3/c24-19(16-11-9-15(10-12-16)14-6-2-1-3-7-14)25-20-22-18(23-26-20)17-8-4-5-13-21-17/h1-13H
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n/an/a 1.31E+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 noncompetitive KinaseGlo Plus Max luminescent assay


J Med Chem 52: 1450-8 (2010)

More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50293100
PNG
(3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl biphenyl-4-c...)
Show SMILES O=C(Oc1nc(no1)-c1ccccn1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H13N3O3/c24-19(16-11-9-15(10-12-16)14-6-2-1-3-7-14)25-20-22-18(23-26-20)17-8-4-5-13-21-17/h1-13H
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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 Photuris pennsylvanica luciferase by noncompetitive KinaseGlo Plus luminescent assay


J Med Chem 52: 1450-8 (2010)

More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50293102
PNG
(5-(2-methoxyphenyl)-3-(pyridin-2-yl)-1,2,4-oxadiaz...)
Show SMILES COc1ccccc1-c1nc(no1)-c1ccccn1
Show InChI InChI=1S/C14H11N3O2/c1-18-12-8-3-2-6-10(12)14-16-13(17-19-14)11-7-4-5-9-15-11/h2-9H,1H3
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n/an/a 1.35E+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 noncompetitive KinaseGlo Plus luminescent assay


J Med Chem 52: 1450-8 (2010)

More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50293112
PNG
(5-(furan-2-yl)-3-(pyridin-2-yl)-1,2,4-oxadiazole |...)
Show SMILES c1coc(c1)-c1nc(no1)-c1ccccn1
Show InChI InChI=1S/C11H7N3O2/c1-2-6-12-8(4-1)10-13-11(16-14-10)9-5-3-7-15-9/h1-7H
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n/an/a 1.39E+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 noncompetitive KinaseGlo luminescent assay


J Med Chem 52: 1450-8 (2010)

More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50293101
PNG
(5-(2,4-dimethoxyphenyl)-3-phenyl-1,2,4-oxadiazole ...)
Show SMILES COc1ccc(-c2nc(no2)-c2ccccc2)c(OC)c1
Show InChI InChI=1S/C16H14N2O3/c1-19-12-8-9-13(14(10-12)20-2)16-17-15(18-21-16)11-6-4-3-5-7-11/h3-10H,1-2H3
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n/an/a 1.39E+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 noncompetitive KinaseGlo luminescent assay


J Med Chem 52: 1450-8 (2010)

More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50293107
PNG
(5-(4-fluorophenyl)-3-m-tolyl-1,2,4-oxadiazole | CH...)
Show SMILES Cc1cccc(c1)-c1noc(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C15H11FN2O/c1-10-3-2-4-12(9-10)14-17-15(19-18-14)11-5-7-13(16)8-6-11/h2-9H,1H3
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n/an/a 1.40E+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 noncompetitive KinaseGlo luminescent assay


J Med Chem 52: 1450-8 (2010)

More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50293116
PNG
(3-(pyridin-2-yl)-5-(pyridin-4-yl)-1,2,4-oxadiazole...)
Show SMILES c1ccc(nc1)-c1noc(n1)-c1ccncc1
Show InChI InChI=1S/C12H8N4O/c1-2-6-14-10(3-1)11-15-12(17-16-11)9-4-7-13-8-5-9/h1-8H
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n/an/a 1.41E+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 noncompetitive KinaseGlo Plus luminescent assay


J Med Chem 52: 1450-8 (2010)

More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photuris pennsylvanica)
BDBM50293116
PNG
(3-(pyridin-2-yl)-5-(pyridin-4-yl)-1,2,4-oxadiazole...)
Show SMILES c1ccc(nc1)-c1noc(n1)-c1ccncc1
Show InChI InChI=1S/C12H8N4O/c1-2-6-14-10(3-1)11-15-12(17-16-11)9-4-7-13-8-5-9/h1-8H
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n/an/a 2.53E+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 noncompetitive KinaseGlo Plus Max luminescent assay


J Med Chem 52: 1450-8 (2010)

More data for this
Ligand-Target Pair
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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PubMed
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)

More data for this
Ligand-Target Pair
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