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There are 27 purchasable compounds for target: Luciferin 4-monooxygenase

Compile data set for download or QSAR
Wt: 228.2
BDBM23926
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Wt: 297.3
BDBM50004830
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Wt: 297.3
BDBM50004861
Wt: 282.2
BDBM50004873
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Wt: 267.3
BDBM50004877
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Wt: 267.3
BDBM50004884
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Wt: 321.8
BDBM50004826
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Wt: 284.3
BDBM50129784
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Wt: 254.3
BDBM50129791
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Wt: 438.5
BDBM50238214
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Wt: 409.4
BDBM50238221
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Wt: 299.3
BDBM50238226
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Wt: 252.2
BDBM50293108
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Wt: 213.1
BDBM50293112
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Wt: 245.7
BDBM50293113
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Displayed 1 to 15 (of 27 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 31 hits for monomerid = 23926,50004830,50004861,50004873,50004877,50004884,50004826,50129784,50129791,50238214,50238221,50238226,50293108,50293112,50293113   
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
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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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)


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


(Photinus pyralis)
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 1.71E+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 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)
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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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)
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)


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


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


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


(Photinus pyralis)
BDBM50004830
PNG
(CHEMBL2324060)
Show SMILES COc1ccc(C[C@@H]2CC(=NO2)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C18H19NO3/c1-20-15-7-3-13(4-8-15)11-17-12-18(19-22-17)14-5-9-16(21-2)10-6-14/h3-10,17H,11-12H2,1-2H3/t17-/m1/s1
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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=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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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)
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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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)
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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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)
BDBM50004884
PNG
(CHEMBL2324089)
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-/m0/s1
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n/an/a 2.46E+3n/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)
BDBM50004826
PNG
(CHEMBL2324075)
Show SMILES Clc1ccc(cc1)C1=NO[C@@H](Cc2cccc3ccccc23)C1
Show InChI InChI=1S/C20H16ClNO/c21-17-10-8-15(9-11-17)20-13-18(23-22-20)12-16-6-3-5-14-4-1-2-7-19(14)16/h1-11,18H,12-13H2/t18-/m0/s1
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n/an/a>1.00E+4n/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)
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)
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


(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)


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


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)
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)


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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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)
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)


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


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


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


(Photinus pyralis)
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 4.00E+3n/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)


Article DOI: 10.1021/jm8014525
BindingDB Entry DOI: 10.7270/Q2XD11PW
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>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 noncompetitive KinaseGlo Plus 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)
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 4.50E+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
Luciferin 4-monooxygenase


(Photinus pyralis)
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 8.30E+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 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)
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)


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


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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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)


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

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 23926,50004830,50004861,50004873,50004877,50004884,50004826,50129784,50129791,50238214,50238221,50238226,50293108,50293112,50293113
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
Quinone Reductase 2 (QR2)

(Homo sapiens (Human))
BDBM23926
JPEG
((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...)
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-9.785.00-14.67.417.525



University of Illinois at Chicago





Biochem J 413: 81-91 (2008)