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Found 172 hits Enz. Inhib. hit(s) with Target = 'Luciferin 4-monooxygenase'   
Target/Host
(Institution)
LigandTarget/Host
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


(Photinus pyralis)
BDBM50004836
PNG
(CHEMBL2324047)
Show SMILES Clc1ccc(cc1)C1=NO[C@H](Cc2ccccc2)C1
Show InChI InChI=1S/C16H14ClNO/c17-14-8-6-13(7-9-14)16-11-15(19-18-16)10-12-4-2-1-3-5-12/h1-9,15H,10-11H2/t15-/m1/s1
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Article
PubMed
n/an/a 0.260n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay


J Med Chem 56: 1064-73 (2013)

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


(Photinus pyralis)
BDBM50004877
PNG
(CHEMBL2324088)
Show SMILES COc1ccc(cc1)C1=NO[C@H](Cc2ccccc2)C1
Show InChI InChI=1S/C17H17NO2/c1-19-15-9-7-14(8-10-15)17-12-16(20-18-17)11-13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3/t16-/m1/s1
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PubMed
n/an/a 0.290n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay


J Med Chem 56: 1064-73 (2013)

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


(Photinus pyralis)
BDBM50004876
PNG
(CHEMBL2324042)
Show SMILES Fc1ccc(cc1)C1=NO[C@H](Cc2ccccc2)C1
Show InChI InChI=1S/C16H14FNO/c17-14-8-6-13(7-9-14)16-11-15(19-18-16)10-12-4-2-1-3-5-12/h1-9,15H,10-11H2/t15-/m1/s1
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PubMed
n/an/a 0.310n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay


J Med Chem 56: 1064-73 (2013)

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


(Photinus pyralis)
BDBM50004875
PNG
(CHEMBL2324086)
Show SMILES COc1cccc(c1)C1=NO[C@H](Cc2ccccc2)C1
Show InChI InChI=1S/C17H17NO2/c1-19-15-9-5-8-14(11-15)17-12-16(20-18-17)10-13-6-3-2-4-7-13/h2-9,11,16H,10,12H2,1H3/t16-/m1/s1
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PubMed
n/an/a 0.400n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay


J Med Chem 56: 1064-73 (2013)

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


(Photinus pyralis)
BDBM50004874
PNG
(CHEMBL2324045)
Show SMILES Clc1ccccc1C1=NOC(Cc2ccccc2)O1
Show InChI InChI=1S/C15H12ClNO2/c16-13-9-5-4-8-12(13)15-17-19-14(18-15)10-11-6-2-1-3-7-11/h1-9,14H,10H2
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n/an/a 0.520n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay


J Med Chem 56: 1064-73 (2013)

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


(Photinus pyralis)
BDBM50004873
PNG
(CHEMBL2324053)
Show SMILES [O-][N+](=O)c1ccc(cc1)C1=NOC(Cc2ccccc2)C1
Show InChI InChI=1S/C16H14N2O3/c19-18(20)14-8-6-13(7-9-14)16-11-15(21-17-16)10-12-4-2-1-3-5-12/h1-9,15H,10-11H2
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PubMed
n/an/a 0.740n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay


J Med Chem 56: 1064-73 (2013)

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


(Photinus pyralis)
BDBM50004872
PNG
(CHEMBL2324097)
Show SMILES Oc1cccc(c1)C1=NO[C@H](Cc2ccccc2)C1
Show InChI InChI=1S/C16H15NO2/c18-14-8-4-7-13(10-14)16-11-15(19-17-16)9-12-5-2-1-3-6-12/h1-8,10,15,18H,9,11H2/t15-/m1/s1
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PubMed
n/an/a 0.830n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay


J Med Chem 56: 1064-73 (2013)

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


(Photinus pyralis)
BDBM50004871
PNG
(CHEMBL2324068)
Show SMILES Fc1ccc(C[C@@H]2CC(=NO2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C16H13ClFNO/c17-13-5-3-12(4-6-13)16-10-15(20-19-16)9-11-1-7-14(18)8-2-11/h1-8,15H,9-10H2/t15-/m1/s1
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PubMed
n/an/a 0.870n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay


J Med Chem 56: 1064-73 (2013)

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


(Photinus pyralis)
BDBM50004870
PNG
(CHEMBL2324051)
Show SMILES N#Cc1ccc(cc1)C1=NO[C@H](Cc2ccccc2)C1
Show InChI InChI=1S/C17H14N2O/c18-12-14-6-8-15(9-7-14)17-11-16(20-19-17)10-13-4-2-1-3-5-13/h1-9,16H,10-11H2/t16-/m1/s1
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PubMed
n/an/a 0.890n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay


J Med Chem 56: 1064-73 (2013)

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


(Photinus pyralis)
BDBM50004869
PNG
(CHEMBL2324082)
Show SMILES COc1ccccc1C1=NO[C@H](Cc2ccccc2)C1
Show InChI InChI=1S/C17H17NO2/c1-19-17-10-6-5-9-15(17)16-12-14(20-18-16)11-13-7-3-2-4-8-13/h2-10,14H,11-12H2,1H3/t14-/m1/s1
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PubMed
n/an/a 0.910n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay


J Med Chem 56: 1064-73 (2013)

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


(Photinus pyralis)
BDBM50004868
PNG
(CHEMBL2324044)
Show SMILES Clc1ccccc1C1=NOC(Cc2ccccc2)C1
Show InChI InChI=1S/C16H14ClNO/c17-15-9-5-4-8-14(15)16-11-13(19-18-16)10-12-6-2-1-3-7-12/h1-9,13H,10-11H2
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PubMed
n/an/a 0.930n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay


J Med Chem 56: 1064-73 (2013)

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


(Photinus pyralis)
BDBM50004865
PNG
(CHEMBL2324104)
Show SMILES Fc1cccc(c1)C1=NO[C@H](Cc2ccccc2)C1
Show InChI InChI=1S/C16H14FNO/c17-14-8-4-7-13(10-14)16-11-15(19-18-16)9-12-5-2-1-3-6-12/h1-8,10,15H,9,11H2/t15-/m1/s1
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PubMed
n/an/a 0.950n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay


J Med Chem 56: 1064-73 (2013)

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


(Photinus pyralis)
BDBM50004866
PNG
(CHEMBL2324101)
Show SMILES Fc1ccccc1C1=NO[C@H](Cc2ccccc2)C1
Show InChI InChI=1S/C16H14FNO/c17-15-9-5-4-8-14(15)16-11-13(19-18-16)10-12-6-2-1-3-7-12/h1-9,13H,10-11H2/t13-/m1/s1
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PubMed
n/an/a 0.950n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay


J Med Chem 56: 1064-73 (2013)

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


(Photinus pyralis)
BDBM50004867
PNG
(CHEMBL2324092)
Show SMILES COc1ccc(cc1)C1=NO[C@H](Cc2ccccc2)O1
Show InChI InChI=1S/C16H15NO3/c1-18-14-9-7-13(8-10-14)16-17-20-15(19-16)11-12-5-3-2-4-6-12/h2-10,15H,11H2,1H3/t15-/m1/s1
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PubMed
n/an/a 0.950n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay


J Med Chem 56: 1064-73 (2013)

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


(Photinus pyralis)
BDBM50004864
PNG
(CHEMBL2324058)
Show SMILES COc1ccc(cc1)C1=NO[C@H](Cc2cccc(OC)c2)C1
Show InChI InChI=1S/C18H19NO3/c1-20-15-8-6-14(7-9-15)18-12-17(22-19-18)11-13-4-3-5-16(10-13)21-2/h3-10,17H,11-12H2,1-2H3/t17-/m1/s1
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PubMed
n/an/a 1.20n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay


J Med Chem 56: 1064-73 (2013)

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


(Photinus pyralis)
BDBM50004862
PNG
(CHEMBL2324076)
Show SMILES C([C@@H]1CC(=NO1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H15NO/c1-3-7-13(8-4-1)11-15-12-16(17-18-15)14-9-5-2-6-10-14/h1-10,15H,11-12H2/t15-/m1/s1
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PubMed
n/an/a 1.60n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay


J Med Chem 56: 1064-73 (2013)

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


(Photinus pyralis)
BDBM50004861
PNG
(CHEMBL2324056)
Show SMILES COc1ccc(cc1)C1=NO[C@H](Cc2ccccc2OC)C1
Show InChI InChI=1S/C18H19NO3/c1-20-15-9-7-13(8-10-15)17-12-16(22-19-17)11-14-5-3-4-6-18(14)21-2/h3-10,16H,11-12H2,1-2H3/t16-/m1/s1
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PubMed
n/an/a 1.80n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay


J Med Chem 56: 1064-73 (2013)

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


(Photinus pyralis)
BDBM50004860
PNG
(CHEMBL2324095)
Show SMILES Oc1ccccc1C1=NO[C@H](Cc2ccccc2)C1
Show InChI InChI=1S/C16H15NO2/c18-16-9-5-4-8-14(16)15-11-13(19-17-15)10-12-6-2-1-3-7-12/h1-9,13,18H,10-11H2/t13-/m1/s1
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PubMed
n/an/a 1.90n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay


J Med Chem 56: 1064-73 (2013)

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


(Photinus pyralis)
BDBM50004859
PNG
(CHEMBL2324084)
Show SMILES COc1ccccc1C1=NO[C@H](Cc2ccccc2)O1
Show InChI InChI=1S/C16H15NO3/c1-18-14-10-6-5-9-13(14)16-17-20-15(19-16)11-12-7-3-2-4-8-12/h2-10,15H,11H2,1H3/t15-/m1/s1
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PubMed
n/an/a 2.10n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay


J Med Chem 56: 1064-73 (2013)

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


(Photinus pyralis)
BDBM50004858
PNG
(CHEMBL2324103)
Show SMILES Fc1ccccc1C1=NOC(Cc2ccccc2)O1
Show InChI InChI=1S/C15H12FNO2/c16-13-9-5-4-8-12(13)15-17-19-14(18-15)10-11-6-2-1-3-7-11/h1-9,14H,10H2
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n/an/a 2.80n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay


J Med Chem 56: 1064-73 (2013)

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


(Photinus pyralis)
BDBM50004857
PNG
(CHEMBL2324093)
Show SMILES COc1ccc(cc1)C1=NO[C@@H](Cc2ccccc2)O1
Show InChI InChI=1S/C16H15NO3/c1-18-14-9-7-13(8-10-14)16-17-20-15(19-16)11-12-5-3-2-4-6-12/h2-10,15H,11H2,1H3/t15-/m0/s1
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n/an/a 5.20n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay


J Med Chem 56: 1064-73 (2013)

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


(Photinus pyralis)
BDBM50004856
PNG
(CHEMBL2324054)
Show SMILES COc1ccc(cc1)C1=NO[C@H](Cc2ccc(F)cc2)C1
Show InChI InChI=1S/C17H16FNO2/c1-20-15-8-4-13(5-9-15)17-11-16(21-19-17)10-12-2-6-14(18)7-3-12/h2-9,16H,10-11H2,1H3/t16-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay


J Med Chem 56: 1064-73 (2013)

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


(Photinus pyralis)
BDBM50004855
PNG
(CHEMBL2324090)
Show SMILES COc1ccc(cc1)C1=NO[C@H](CCc2ccccc2)C1
Show InChI InChI=1S/C18H19NO2/c1-20-16-11-8-15(9-12-16)18-13-17(21-19-18)10-7-14-5-3-2-4-6-14/h2-6,8-9,11-12,17H,7,10,13H2,1H3/t17-/m1/s1
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PubMed
n/an/a 14n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay


J Med Chem 56: 1064-73 (2013)

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


(Photinus pyralis)
BDBM50004854
PNG
(CHEMBL2324046)
Show SMILES Clc1cccc(c1)C1=NOC(Cc2ccccc2)C1
Show InChI InChI=1S/C16H14ClNO/c17-14-8-4-7-13(10-14)16-11-15(19-18-16)9-12-5-2-1-3-6-12/h1-8,10,15H,9,11H2
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PubMed
n/an/a 15n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay


J Med Chem 56: 1064-73 (2013)

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


(Photinus pyralis)
BDBM50004853
PNG
(CHEMBL2324062)
Show SMILES COc1ccccc1CC1CC(=NO1)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H16ClNO2/c1-20-17-5-3-2-4-13(17)10-15-11-16(19-21-15)12-6-8-14(18)9-7-12/h2-9,15H,10-11H2,1H3
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PubMed
n/an/a 16n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay


J Med Chem 56: 1064-73 (2013)

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


(Photinus pyralis)
BDBM50004851
PNG
(CHEMBL2324063)
Show SMILES COc1cccc(C[C@@H]2CC(=NO2)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C17H16ClNO2/c1-20-15-4-2-3-12(9-15)10-16-11-17(19-21-16)13-5-7-14(18)8-6-13/h2-9,16H,10-11H2,1H3/t16-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay


J Med Chem 56: 1064-73 (2013)

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


(Photinus pyralis)
BDBM50004850
PNG
(CHEMBL2324094)
Show SMILES COc1ccc(cc1)C1=NOC(C)(Cc2ccccc2)C1
Show InChI InChI=1S/C18H19NO2/c1-18(12-14-6-4-3-5-7-14)13-17(19-21-18)15-8-10-16(20-2)11-9-15/h3-11H,12-13H2,1-2H3
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n/an/a 22n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay


J Med Chem 56: 1064-73 (2013)

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


(Photinus pyralis)
BDBM50004849
PNG
(CHEMBL2324050)
Show SMILES CC1(Cc2ccccc2)CC(=NO1)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H16ClNO/c1-17(11-13-5-3-2-4-6-13)12-16(19-20-17)14-7-9-15(18)10-8-14/h2-10H,11-12H2,1H3
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n/an/a 32n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay


J Med Chem 56: 1064-73 (2013)

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 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


(Photinus pyralis)
BDBM23926
PNG
((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
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n/an/a 59n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay


J Med Chem 56: 1064-73 (2013)

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


(Photinus pyralis)
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 80n/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 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


(Photinus pyralis)
BDBM50004848
PNG
(CHEMBL2324080)
Show SMILES C([C@@H]1CC(=NO1)c1ccc2ccccc2c1)c1ccccc1
Show InChI InChI=1S/C20H17NO/c1-2-6-15(7-3-1)12-19-14-20(21-22-19)18-11-10-16-8-4-5-9-17(16)13-18/h1-11,13,19H,12,14H2/t19-/m1/s1
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n/an/a 87n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay


J Med Chem 56: 1064-73 (2013)

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


(Photinus pyralis)
BDBM50004847
PNG
(CHEMBL2324077)
Show SMILES C([C@H]1CC(=NO1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C16H15NO/c1-3-7-13(8-4-1)11-15-12-16(17-18-15)14-9-5-2-6-10-14/h1-10,15H,11-12H2/t15-/m0/s1
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n/an/a 174n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay


J Med Chem 56: 1064-73 (2013)

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


(Photinus pyralis)
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 200n/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 noncompetitive inhibition assay


J Med Chem 52: 1450-8 (2010)

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


(Photinus pyralis)
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 200n/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)

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


(Photinus pyralis)
BDBM50004846
PNG
(CHEMBL2324099)
Show SMILES Oc1ccc(cc1)C1=NO[C@H](Cc2ccccc2)C1
Show InChI InChI=1S/C16H15NO2/c18-14-8-6-13(7-9-14)16-11-15(19-17-16)10-12-4-2-1-3-5-12/h1-9,15,18H,10-11H2/t15-/m1/s1
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n/an/a 316n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay


J Med Chem 56: 1064-73 (2013)

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)
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


(Photinus pyralis)
BDBM50004845
PNG
(CHEMBL2324052)
Show SMILES N#Cc1ccc(cc1)C1=NO[C@@H](Cc2ccccc2)C1
Show InChI InChI=1S/C17H14N2O/c18-12-14-6-8-15(9-7-14)17-11-16(20-19-17)10-13-4-2-1-3-5-13/h1-9,16H,10-11H2/t16-/m0/s1
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n/an/a 331n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay


J Med Chem 56: 1064-73 (2013)

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


(Photinus pyralis)
BDBM50004844
PNG
(CHEMBL2324048)
Show SMILES Clc1ccc(cc1)C1=NO[C@@H](Cc2ccccc2)C1
Show InChI InChI=1S/C16H14ClNO/c17-14-8-6-13(7-9-14)16-11-15(19-18-16)10-12-4-2-1-3-5-12/h1-9,15H,10-11H2/t15-/m0/s1
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n/an/a 417n/an/an/an/an/an/a



University of Eastern Finland

Curated by ChEMBL


Assay Description
Inhibition of recombinant firefly luciferase after 20 mins by luminescence assay


J Med Chem 56: 1064-73 (2013)

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


(Photinus pyralis)
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 500n/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 noncompetitive inhibition assay


J Med Chem 52: 1450-8 (2010)

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


(Photinus pyralis)
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 500n/an/an/an/an/an/a



National Institutes of Health

Curated by ChEMBL


Assay Description
Inhibition of adenylate binding site of Photinus pyralis 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)
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
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