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Compile Data Set for Download or QSAR

Found 409 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=1/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-/s2
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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)


Article DOI: 10.1021/jm301516q
BindingDB Entry DOI: 10.7270/Q20G3MP0
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=1/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-/s2
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Article
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)


Article DOI: 10.1021/jm301516q
BindingDB Entry DOI: 10.7270/Q20G3MP0
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=1/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-/s2
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Article
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)


Article DOI: 10.1021/jm301516q
BindingDB Entry DOI: 10.7270/Q20G3MP0
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=1/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-/s2
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Article
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)


Article DOI: 10.1021/jm301516q
BindingDB Entry DOI: 10.7270/Q20G3MP0
More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photinus pyralis)
BDBM50004874
PNG
(CHEMBL2324045)
Show SMILES Clc1ccccc1C1=NOC(Cc2ccccc2)O1
Show InChI InChI=1/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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PubMed
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)


Article DOI: 10.1021/jm301516q
BindingDB Entry DOI: 10.7270/Q20G3MP0
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=1/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)


Article DOI: 10.1021/jm301516q
BindingDB Entry DOI: 10.7270/Q20G3MP0
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=1/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-/s2
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Article
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)


Article DOI: 10.1021/jm301516q
BindingDB Entry DOI: 10.7270/Q20G3MP0
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=1/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-/s2
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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)


Article DOI: 10.1021/jm301516q
BindingDB Entry DOI: 10.7270/Q20G3MP0
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=1/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-/s2
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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)


Article DOI: 10.1021/jm301516q
BindingDB Entry DOI: 10.7270/Q20G3MP0
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=1/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-/s2
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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)


Article DOI: 10.1021/jm301516q
BindingDB Entry DOI: 10.7270/Q20G3MP0
More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photinus pyralis)
BDBM50004868
PNG
(CHEMBL2324044)
Show SMILES Clc1ccccc1C1=NOC(Cc2ccccc2)C1
Show InChI InChI=1/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)


Article DOI: 10.1021/jm301516q
BindingDB Entry DOI: 10.7270/Q20G3MP0
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=1/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-/s2
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Article
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)


Article DOI: 10.1021/jm301516q
BindingDB Entry DOI: 10.7270/Q20G3MP0
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=1/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-/s2
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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)


Article DOI: 10.1021/jm301516q
BindingDB Entry DOI: 10.7270/Q20G3MP0
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=1/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-/s2
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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)


Article DOI: 10.1021/jm301516q
BindingDB Entry DOI: 10.7270/Q20G3MP0
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=1/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-/s2
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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)


Article DOI: 10.1021/jm301516q
BindingDB Entry DOI: 10.7270/Q20G3MP0
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=1/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-/s2
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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)


Article DOI: 10.1021/jm301516q
BindingDB Entry DOI: 10.7270/Q20G3MP0
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=1/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-/s2
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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)


Article DOI: 10.1021/jm301516q
BindingDB Entry DOI: 10.7270/Q20G3MP0
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=1/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-/s2
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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)


Article DOI: 10.1021/jm301516q
BindingDB Entry DOI: 10.7270/Q20G3MP0
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=1/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-/s2
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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)


Article DOI: 10.1021/jm301516q
BindingDB Entry DOI: 10.7270/Q20G3MP0
More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photinus pyralis)
BDBM50004858
PNG
(CHEMBL2324103)
Show SMILES Fc1ccccc1C1=NOC(Cc2ccccc2)O1
Show InChI InChI=1/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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PubMed
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)


Article DOI: 10.1021/jm301516q
BindingDB Entry DOI: 10.7270/Q20G3MP0
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=1/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-/s2
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PubMed
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)


Article DOI: 10.1021/jm301516q
BindingDB Entry DOI: 10.7270/Q20G3MP0
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=1/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-/s2
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PubMed
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)


Article DOI: 10.1021/jm301516q
BindingDB Entry DOI: 10.7270/Q20G3MP0
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=1/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-/s2
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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)


Article DOI: 10.1021/jm301516q
BindingDB Entry DOI: 10.7270/Q20G3MP0
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=1/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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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)


Article DOI: 10.1021/jm301516q
BindingDB Entry DOI: 10.7270/Q20G3MP0
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=1/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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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)


Article DOI: 10.1021/jm301516q
BindingDB Entry DOI: 10.7270/Q20G3MP0
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=1/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-/s2
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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)


Article DOI: 10.1021/jm301516q
BindingDB Entry DOI: 10.7270/Q20G3MP0
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=1/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)


Article DOI: 10.1021/jm301516q
BindingDB Entry DOI: 10.7270/Q20G3MP0
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=1/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)


Article DOI: 10.1021/jm301516q
BindingDB Entry DOI: 10.7270/Q20G3MP0
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)


Article DOI: 10.1021/jm8014525
BindingDB Entry DOI: 10.7270/Q2XD11PW
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)


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


(Photinus pyralis)
BDBM50478348
PNG
(CHEMBL406835)
Show SMILES Oc1ccccc1-c1cc(=O)c2c(ccc3ccccc23)o1
Show InChI InChI=1S/C19H12O3/c20-15-8-4-3-7-14(15)18-11-16(21)19-13-6-2-1-5-12(13)9-10-17(19)22-18/h1-11,20H
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n/an/a 50n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Photinus pyralis luciferase


J Med Chem 51: 2372-86 (2008)

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)


Article DOI: 10.1021/jm8014525
BindingDB Entry DOI: 10.7270/Q2XD11PW
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)


Article DOI: 10.1021/jm301516q
BindingDB Entry DOI: 10.7270/Q20G3MP0
More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photinus pyralis)
BDBM50478348
PNG
(CHEMBL406835)
Show SMILES Oc1ccccc1-c1cc(=O)c2c(ccc3ccccc23)o1
Show InChI InChI=1S/C19H12O3/c20-15-8-4-3-7-14(15)18-11-16(21)19-13-6-2-1-5-12(13)9-10-17(19)22-18/h1-11,20H
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n/an/a 60n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Photinus pyralis luciferase by Steady-Glo reporter gene assay


J Med Chem 51: 2372-86 (2008)

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


(Photinus pyralis)
BDBM50485802
PNG
(CHEMBL2164481)
Show SMILES CNc1ccc(Oc2ncnc3n(CC(C)=C)ccc23)cc1
Show InChI InChI=1S/C17H18N4O/c1-12(2)10-21-9-8-15-16(21)19-11-20-17(15)22-14-6-4-13(18-3)5-7-14/h4-9,11,18H,1,10H2,2-3H3
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n/an/a 60n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Mixed-type inhibition of Photinus pyralis luciferase using D-luciferin as substrate after 20 mins by bioluminescence assay


Bioorg Med Chem 20: 5473-82 (2012)

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


(Photinus pyralis)
BDBM50485788
PNG
(CHEMBL2164483)
Show SMILES CNc1ccc(Oc2ncnc3n(CC(C)(C)C)ccc23)cc1
Show InChI InChI=1S/C18H22N4O/c1-18(2,3)11-22-10-9-15-16(22)20-12-21-17(15)23-14-7-5-13(19-4)6-8-14/h5-10,12,19H,11H2,1-4H3
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n/an/a 70n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Mixed-type inhibition of Photinus pyralis luciferase using D-luciferin as substrate after 20 mins by bioluminescence assay


Bioorg Med Chem 20: 5473-82 (2012)

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


(Photinus pyralis)
BDBM50238208
PNG
(2,4-dimethoxy-N-(5-methylpyridin-2-yl)benzamide | ...)
Show SMILES COc1ccc(C(=O)Nc2ccc(C)cn2)c(OC)c1
Show InChI InChI=1S/C15H16N2O3/c1-10-4-7-14(16-9-10)17-15(18)12-6-5-11(19-2)8-13(12)20-3/h4-9H,1-3H3,(H,16,17,18)
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n/an/a 80n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Photinus pyralis luciferase


J Med Chem 51: 2372-86 (2008)

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


(Photinus pyralis)
BDBM50478343
PNG
(CHEMBL258888 | CID 2260658)
Show SMILES Brc1ccccc1N\C=C/C(=O)c1ccccn1
Show InChI InChI=1S/C14H11BrN2O/c15-11-5-1-2-6-12(11)17-10-8-14(18)13-7-3-4-9-16-13/h1-10,17H/b10-8-
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n/an/a 80n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Photinus pyralis luciferase by BrightGlo reporter gene assay


J Med Chem 51: 2372-86 (2008)

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


(Photinus pyralis)
BDBM50478343
PNG
(CHEMBL258888 | CID 2260658)
Show SMILES Brc1ccccc1N\C=C/C(=O)c1ccccn1
Show InChI InChI=1S/C14H11BrN2O/c15-11-5-1-2-6-12(11)17-10-8-14(18)13-7-3-4-9-16-13/h1-10,17H/b10-8-
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n/an/a 80n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Photinus pyralis luciferase


J Med Chem 51: 2372-86 (2008)

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)


Article DOI: 10.1021/jm8014525
BindingDB Entry DOI: 10.7270/Q2XD11PW
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)


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


(Photinus pyralis)
BDBM50485792
PNG
(CHEMBL2164467)
Show SMILES CC(C)(C)Cn1ccc2c(Oc3ccc(N)cc3)ncnc12
Show InChI InChI=1S/C17H20N4O/c1-17(2,3)10-21-9-8-14-15(21)19-11-20-16(14)22-13-6-4-12(18)5-7-13/h4-9,11H,10,18H2,1-3H3
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n/an/a 80n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Mixed-type inhibition of Photinus pyralis luciferase using D-luciferin as substrate after 20 mins by bioluminescence assay


Bioorg Med Chem 20: 5473-82 (2012)

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=1/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-/s2
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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)


Article DOI: 10.1021/jm301516q
BindingDB Entry DOI: 10.7270/Q20G3MP0
More data for this
Ligand-Target Pair
Luciferin 4-monooxygenase


(Photinus pyralis)
BDBM50485789
PNG
(CHEMBL2164482)
Show SMILES CN(C)c1ccc(Oc2ncnc3n(CC(C)=C)ccc23)cc1
Show InChI InChI=1S/C18H20N4O/c1-13(2)11-22-10-9-16-17(22)19-12-20-18(16)23-15-7-5-14(6-8-15)21(3)4/h5-10,12H,1,11H2,2-4H3
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n/an/a 90n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Mixed-type inhibition of Photinus pyralis luciferase using D-luciferin as substrate after 20 mins by bioluminescence assay


Bioorg Med Chem 20: 5473-82 (2012)

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


(Photinus pyralis)
BDBM50478348
PNG
(CHEMBL406835)
Show SMILES Oc1ccccc1-c1cc(=O)c2c(ccc3ccccc23)o1
Show InChI InChI=1S/C19H12O3/c20-15-8-4-3-7-14(15)18-11-16(21)19-13-6-2-1-5-12(13)9-10-17(19)22-18/h1-11,20H
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n/an/a 90n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Photinus pyralis luciferase by BrightGlo reporter gene assay


J Med Chem 51: 2372-86 (2008)

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


(Photinus pyralis)
BDBM39025
PNG
(2-[5-(2-naphthyl)-1,2,4-oxadiazol-3-yl]pyridine | ...)
Show SMILES c1ccc(nc1)-c1noc(n1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C17H11N3O/c1-2-6-13-11-14(9-8-12(13)5-1)17-19-16(20-21-17)15-7-3-4-10-18-15/h1-11H
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n/an/a 100n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Photinus pyralis luciferase


J Med Chem 51: 2372-86 (2008)

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 100n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Photinus pyralis luciferase


J Med Chem 51: 2372-86 (2008)

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


(Photinus pyralis)
BDBM37601
PNG
(3-(1H-benzimidazol-2-yl)-7-(diethylamino)-1-benzop...)
Show SMILES CCN(CC)c1ccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc2c1
Show InChI InChI=1S/C20H19N3O2/c1-3-23(4-2)14-10-9-13-11-15(20(24)25-18(13)12-14)19-21-16-7-5-6-8-17(16)22-19/h5-12H,3-4H2,1-2H3,(H,21,22)
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PubMed
n/an/a 120n/an/an/an/an/an/a



National Human Genome Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Photinus pyralis luciferase by Steady-Glo reporter gene assay


J Med Chem 51: 2372-86 (2008)

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


(Photinus pyralis)
BDBM50485794
PNG
(CHEMBL2164490)
Show SMILES CC(=C)Cn1ccc2c(Oc3ccc(N)cc3)ncnc12
Show InChI InChI=1S/C16H16N4O/c1-11(2)9-20-8-7-14-15(20)18-10-19-16(14)21-13-5-3-12(17)4-6-13/h3-8,10H,1,9,17H2,2H3
PDB
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UniProtKB/SwissProt
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B.MOAD
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PubMed
n/an/a 120n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Mixed-type inhibition of Photinus pyralis luciferase using D-luciferin as substrate after 20 mins by bioluminescence assay


Bioorg Med Chem 20: 5473-82 (2012)

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


(Photinus pyralis)
BDBM50485801
PNG
(CHEMBL2164484)
Show SMILES CN(C)c1ccc(Oc2ncnc3n(CC(C)(C)C)ccc23)cc1
Show InChI InChI=1S/C19H24N4O/c1-19(2,3)12-23-11-10-16-17(23)20-13-21-18(16)24-15-8-6-14(7-9-15)22(4)5/h6-11,13H,12H2,1-5H3
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
UniChem
PubMed
n/an/a 120n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Mixed-type inhibition of Photinus pyralis luciferase using D-luciferin as substrate after 20 mins by bioluminescence assay


Bioorg Med Chem 20: 5473-82 (2012)

More data for this
Ligand-Target Pair
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