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PubMed code 11754588

Compile data set for download or QSAR
Found 39 hits of Enzyme Inhibition Constant Data   
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
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50108053
PNG
((3,5-Dimethoxy-benzylidene)-(2,4-dimethoxy-phenyl)...)
Show SMILES COc1ccc(\N=C\c2cc(OC)cc(OC)c2)c(OC)c1
Show InChI InChI=1S/C17H19NO4/c1-19-13-5-6-16(17(10-13)22-4)18-11-12-7-14(20-2)9-15(8-12)21-3/h5-11H,1-4H3/b18-11+
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n/an/a>2n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of ethoxyresorufin O-deethylation (EROD) in bicistronic bacterial membranes expressing human cytochrome P450 1A2


J Med Chem 45: 160-4 (2001)


Article DOI: 10.1021/jm010298j
BindingDB Entry DOI: 10.7270/Q2668CGD
More data for this
Ligand-Target Pair
Cytochrome P450 1B1


(Homo sapiens (Human))
BDBM50108048
PNG
((E)-2-(3,5-dimethoxystyryl)thiophene | 2-[(E)-2-(3...)
Show SMILES COc1cc(OC)cc(\C=C\c2cccs2)c1
Show InChI InChI=1S/C14H14O2S/c1-15-12-8-11(9-13(10-12)16-2)5-6-14-4-3-7-17-14/h3-10H,1-2H3/b6-5+
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n/an/a 2n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of ethoxyresorufin O-deethylation (EROD) in bicistronic bacterial membranes expressing human cytochrome P450 1B1


J Med Chem 45: 160-4 (2001)


Article DOI: 10.1021/jm010298j
BindingDB Entry DOI: 10.7270/Q2668CGD
More data for this
Ligand-Target Pair
Cytochrome P450 1B1


(Homo sapiens (Human))
BDBM50108052
PNG
(1-[(E)-2-(3,5-dimethoxyphenyl)vinyl]-2,4-dimethoxy...)
Show SMILES COc1ccc(\C=C\c2cc(OC)cc(OC)c2)c(OC)c1
Show InChI InChI=1S/C18H20O4/c1-19-15-8-7-14(18(12-15)22-4)6-5-13-9-16(20-2)11-17(10-13)21-3/h5-12H,1-4H3/b6-5+
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n/an/a 6n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of ethoxyresorufin O-deethylation (EROD) in bicistronic bacterial membranes expressing human cytochrome P450 1B1


J Med Chem 45: 160-4 (2001)


Article DOI: 10.1021/jm010298j
BindingDB Entry DOI: 10.7270/Q2668CGD
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50108048
PNG
((E)-2-(3,5-dimethoxystyryl)thiophene | 2-[(E)-2-(3...)
Show SMILES COc1cc(OC)cc(\C=C\c2cccs2)c1
Show InChI InChI=1S/C14H14O2S/c1-15-12-8-11(9-13(10-12)16-2)5-6-14-4-3-7-17-14/h3-10H,1-2H3/b6-5+
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n/an/a 11n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of ethoxyresorufin O-deethylation (EROD) in bicistronic bacterial membranes expressing human cytochrome P450 1A2


J Med Chem 45: 160-4 (2001)


Article DOI: 10.1021/jm010298j
BindingDB Entry DOI: 10.7270/Q2668CGD
More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Homo sapiens (Human))
BDBM50108048
PNG
((E)-2-(3,5-dimethoxystyryl)thiophene | 2-[(E)-2-(3...)
Show SMILES COc1cc(OC)cc(\C=C\c2cccs2)c1
Show InChI InChI=1S/C14H14O2S/c1-15-12-8-11(9-13(10-12)16-2)5-6-14-4-3-7-17-14/h3-10H,1-2H3/b6-5+
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n/an/a 61n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of ethoxyresorufin O-deethylation (EROD) in bicistronic bacterial membranes epressing human cytochrome P450 1A1


J Med Chem 45: 160-4 (2001)


Article DOI: 10.1021/jm010298j
BindingDB Entry DOI: 10.7270/Q2668CGD
More data for this
Ligand-Target Pair
Cytochrome P450 1B1


(Homo sapiens (Human))
BDBM50108044
PNG
(1-[(E)-2-(3,5-dimethoxyphenyl)vinyl]-2-fluoro-4-me...)
Show SMILES COc1ccc(\C=C\c2cc(OC)cc(OC)c2)c(F)c1
Show InChI InChI=1S/C17H17FO3/c1-19-14-7-6-13(17(18)11-14)5-4-12-8-15(20-2)10-16(9-12)21-3/h4-11H,1-3H3/b5-4+
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n/an/a 97n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of ethoxyresorufin O-deethylation (EROD) in bicistronic bacterial membranes expressing human cytochrome P450 1B1


J Med Chem 45: 160-4 (2001)


Article DOI: 10.1021/jm010298j
BindingDB Entry DOI: 10.7270/Q2668CGD
More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Homo sapiens (Human))
BDBM50108045
PNG
((trans)-5-(3,5-dimethoxystyryl)-1,2,3-trimethoxybe...)
Show SMILES COc1cc(OC)cc(\C=C\c2cc(OC)c(OC)c(OC)c2)c1
Show InChI InChI=1S/C19H22O5/c1-20-15-8-13(9-16(12-15)21-2)6-7-14-10-17(22-3)19(24-5)18(11-14)23-4/h6-12H,1-5H3/b7-6+
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n/an/a 140n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of ethoxyresorufin O-deethylation (EROD) in bicistronic bacterial membranes epressing human cytochrome P450 1A1


J Med Chem 45: 160-4 (2001)


Article DOI: 10.1021/jm010298j
BindingDB Entry DOI: 10.7270/Q2668CGD
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50108054
PNG
(4-[(E)-2-(3,5-Dimethoxy-phenyl)-vinyl]-pyridine | ...)
Show SMILES COc1cc(OC)cc(\C=C\c2ccncc2)c1
Show InChI InChI=1S/C15H15NO2/c1-17-14-9-13(10-15(11-14)18-2)4-3-12-5-7-16-8-6-12/h3-11H,1-2H3/b4-3+
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n/an/a 290n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of ethoxyresorufin O-deethylation (EROD) in bicistronic bacterial membranes expressing human cytochrome P450 1A2


J Med Chem 45: 160-4 (2001)


Article DOI: 10.1021/jm010298j
BindingDB Entry DOI: 10.7270/Q2668CGD
More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Homo sapiens (Human))
BDBM50108052
PNG
(1-[(E)-2-(3,5-dimethoxyphenyl)vinyl]-2,4-dimethoxy...)
Show SMILES COc1ccc(\C=C\c2cc(OC)cc(OC)c2)c(OC)c1
Show InChI InChI=1S/C18H20O4/c1-19-15-8-7-14(18(12-15)22-4)6-5-13-9-16(20-2)11-17(10-13)21-3/h5-12H,1-4H3/b6-5+
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n/an/a 300n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of ethoxyresorufin O-deethylation (EROD) in bicistronic bacterial membranes epressing human cytochrome P450 1A1


J Med Chem 45: 160-4 (2001)


Article DOI: 10.1021/jm010298j
BindingDB Entry DOI: 10.7270/Q2668CGD
More data for this
Ligand-Target Pair
Cytochrome P450 1B1


(Homo sapiens (Human))
BDBM50108050
PNG
(2-[(E)-2-(3,5-Dimethoxy-phenyl)-vinyl]-5-methoxy-p...)
Show SMILES COc1ccc(\C=C\c2cc(OC)cc(OC)c2)c(O)c1
Show InChI InChI=1S/C17H18O4/c1-19-14-7-6-13(17(18)11-14)5-4-12-8-15(20-2)10-16(9-12)21-3/h4-11,18H,1-3H3/b5-4+
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n/an/a 390n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of ethoxyresorufin O-deethylation (EROD) in bicistronic bacterial membranes expressing human cytochrome P450 1B1


J Med Chem 45: 160-4 (2001)


Article DOI: 10.1021/jm010298j
BindingDB Entry DOI: 10.7270/Q2668CGD
More data for this
Ligand-Target Pair
Cytochrome P450 1B1


(Homo sapiens (Human))
BDBM50108054
PNG
(4-[(E)-2-(3,5-Dimethoxy-phenyl)-vinyl]-pyridine | ...)
Show SMILES COc1cc(OC)cc(\C=C\c2ccncc2)c1
Show InChI InChI=1S/C15H15NO2/c1-17-14-9-13(10-15(11-14)18-2)4-3-12-5-7-16-8-6-12/h3-11H,1-2H3/b4-3+
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n/an/a 460n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of ethoxyresorufin O-deethylation (EROD) in bicistronic bacterial membranes expressing human cytochrome P450 1B1


J Med Chem 45: 160-4 (2001)


Article DOI: 10.1021/jm010298j
BindingDB Entry DOI: 10.7270/Q2668CGD
More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Homo sapiens (Human))
BDBM50108044
PNG
(1-[(E)-2-(3,5-dimethoxyphenyl)vinyl]-2-fluoro-4-me...)
Show SMILES COc1ccc(\C=C\c2cc(OC)cc(OC)c2)c(F)c1
Show InChI InChI=1S/C17H17FO3/c1-19-14-7-6-13(17(18)11-14)5-4-12-8-15(20-2)10-16(9-12)21-3/h4-11H,1-3H3/b5-4+
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n/an/a 610n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of ethoxyresorufin O-deethylation (EROD) in bicistronic bacterial membranes epressing human cytochrome P450 1A1


J Med Chem 45: 160-4 (2001)


Article DOI: 10.1021/jm010298j
BindingDB Entry DOI: 10.7270/Q2668CGD
More data for this
Ligand-Target Pair
Cytochrome P450 1B1


(Homo sapiens (Human))
BDBM50108051
PNG
(CHEMBL42427 | N-(2,4-Dimethoxy-phenyl)-3,5-dimetho...)
Show SMILES COc1ccc(NC(=O)c2cc(OC)cc(OC)c2)c(OC)c1
Show InChI InChI=1S/C17H19NO5/c1-20-12-5-6-15(16(10-12)23-4)18-17(19)11-7-13(21-2)9-14(8-11)22-3/h5-10H,1-4H3,(H,18,19)
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n/an/a 670n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of ethoxyresorufin O-deethylation (EROD) in bicistronic bacterial membranes expressing human cytochrome P450 1B1


J Med Chem 45: 160-4 (2001)


Article DOI: 10.1021/jm010298j
BindingDB Entry DOI: 10.7270/Q2668CGD
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50108047
PNG
(3-[(E)-2-(3,5-Dimethoxy-phenyl)-vinyl]-furan | 3-[...)
Show SMILES COc1cc(OC)cc(\C=C\c2ccoc2)c1
Show InChI InChI=1S/C14H14O3/c1-15-13-7-12(8-14(9-13)16-2)4-3-11-5-6-17-10-11/h3-10H,1-2H3/b4-3+
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n/an/a 740n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of ethoxyresorufin O-deethylation (EROD) in bicistronic bacterial membranes expressing human cytochrome P450 1A2


J Med Chem 45: 160-4 (2001)


Article DOI: 10.1021/jm010298j
BindingDB Entry DOI: 10.7270/Q2668CGD
More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Homo sapiens (Human))
BDBM50085526
PNG
((E)-3,5,30,40-Tetramethoxystilbene | 4-[(E)-2-(3,5...)
Show SMILES COc1cc(OC)cc(\C=C\c2ccc(OC)c(OC)c2)c1
Show InChI InChI=1S/C18H20O4/c1-19-15-9-14(10-16(12-15)20-2)6-5-13-7-8-17(21-3)18(11-13)22-4/h5-12H,1-4H3/b6-5+
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n/an/a 750n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of ethoxyresorufin O-deethylation (EROD) in bicistronic bacterial membranes epressing human cytochrome P450 1A1


J Med Chem 45: 160-4 (2001)


Article DOI: 10.1021/jm010298j
BindingDB Entry DOI: 10.7270/Q2668CGD
More data for this
Ligand-Target Pair
Cytochrome P450 1B1


(Homo sapiens (Human))
BDBM23928
PNG
(1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]be...)
Show SMILES COc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1
Show InChI InChI=1S/C17H18O3/c1-18-15-8-6-13(7-9-15)4-5-14-10-16(19-2)12-17(11-14)20-3/h4-12H,1-3H3/b5-4+
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n/an/a 790n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of ethoxyresorufin O-deethylation (EROD) in bicistronic bacterial membranes expressing human cytochrome P450 1B1


J Med Chem 45: 160-4 (2001)


Article DOI: 10.1021/jm010298j
BindingDB Entry DOI: 10.7270/Q2668CGD
More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Homo sapiens (Human))
BDBM23928
PNG
(1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]be...)
Show SMILES COc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1
Show InChI InChI=1S/C17H18O3/c1-18-15-8-6-13(7-9-15)4-5-14-10-16(19-2)12-17(11-14)20-3/h4-12H,1-3H3/b5-4+
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n/an/a 830n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of ethoxyresorufin O-deethylation (EROD) in bicistronic bacterial membranes epressing human cytochrome P450 1A1


J Med Chem 45: 160-4 (2001)


Article DOI: 10.1021/jm010298j
BindingDB Entry DOI: 10.7270/Q2668CGD
More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Homo sapiens (Human))
BDBM50108049
PNG
((E)-3,5,30,50-Tetramethoxystilbene | 1-[(E)-2-(3,5...)
Show SMILES COc1cc(OC)cc(\C=C\c2cc(OC)cc(OC)c2)c1
Show InChI InChI=1S/C18H20O4/c1-19-15-7-13(8-16(11-15)20-2)5-6-14-9-17(21-3)12-18(10-14)22-4/h5-12H,1-4H3/b6-5+
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n/an/a 920n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of ethoxyresorufin O-deethylation (EROD) in bicistronic bacterial membranes epressing human cytochrome P450 1A1


J Med Chem 45: 160-4 (2001)


Article DOI: 10.1021/jm010298j
BindingDB Entry DOI: 10.7270/Q2668CGD
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50108045
PNG
((trans)-5-(3,5-dimethoxystyryl)-1,2,3-trimethoxybe...)
Show SMILES COc1cc(OC)cc(\C=C\c2cc(OC)c(OC)c(OC)c2)c1
Show InChI InChI=1S/C19H22O5/c1-20-15-8-13(9-16(12-15)21-2)6-7-14-10-17(22-3)19(24-5)18(11-14)23-4/h6-12H,1-5H3/b7-6+
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n/an/a 930n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of ethoxyresorufin O-deethylation (EROD) in bicistronic bacterial membranes expressing human cytochrome P450 1A2


J Med Chem 45: 160-4 (2001)


Article DOI: 10.1021/jm010298j
BindingDB Entry DOI: 10.7270/Q2668CGD
More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Homo sapiens (Human))
BDBM50108050
PNG
(2-[(E)-2-(3,5-Dimethoxy-phenyl)-vinyl]-5-methoxy-p...)
Show SMILES COc1ccc(\C=C\c2cc(OC)cc(OC)c2)c(O)c1
Show InChI InChI=1S/C17H18O4/c1-19-14-7-6-13(17(18)11-14)5-4-12-8-15(20-2)10-16(9-12)21-3/h4-11,18H,1-3H3/b5-4+
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n/an/a 980n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of ethoxyresorufin O-deethylation (EROD) in bicistronic bacterial membranes epressing human cytochrome P450 1A1


J Med Chem 45: 160-4 (2001)


Article DOI: 10.1021/jm010298j
BindingDB Entry DOI: 10.7270/Q2668CGD
More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Homo sapiens (Human))
BDBM50108054
PNG
(4-[(E)-2-(3,5-Dimethoxy-phenyl)-vinyl]-pyridine | ...)
Show SMILES COc1cc(OC)cc(\C=C\c2ccncc2)c1
Show InChI InChI=1S/C15H15NO2/c1-17-14-9-13(10-15(11-14)18-2)4-3-12-5-7-16-8-6-12/h3-11H,1-2H3/b4-3+
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n/an/a 1.10E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of ethoxyresorufin O-deethylation (EROD) in bicistronic bacterial membranes epressing human cytochrome P450 1A1


J Med Chem 45: 160-4 (2001)


Article DOI: 10.1021/jm010298j
BindingDB Entry DOI: 10.7270/Q2668CGD
More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Homo sapiens (Human))
BDBM50108051
PNG
(CHEMBL42427 | N-(2,4-Dimethoxy-phenyl)-3,5-dimetho...)
Show SMILES COc1ccc(NC(=O)c2cc(OC)cc(OC)c2)c(OC)c1
Show InChI InChI=1S/C17H19NO5/c1-20-12-5-6-15(16(10-12)23-4)18-17(19)11-7-13(21-2)9-14(8-11)22-3/h5-10H,1-4H3,(H,18,19)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of ethoxyresorufin O-deethylation (EROD) in bicistronic bacterial membranes epressing human cytochrome P450 1A1


J Med Chem 45: 160-4 (2001)


Article DOI: 10.1021/jm010298j
BindingDB Entry DOI: 10.7270/Q2668CGD
More data for this
Ligand-Target Pair
Cytochrome P450 1B1


(Homo sapiens (Human))
BDBM50108047
PNG
(3-[(E)-2-(3,5-Dimethoxy-phenyl)-vinyl]-furan | 3-[...)
Show SMILES COc1cc(OC)cc(\C=C\c2ccoc2)c1
Show InChI InChI=1S/C14H14O3/c1-15-13-7-12(8-14(9-13)16-2)4-3-11-5-6-17-10-11/h3-10H,1-2H3/b4-3+
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n/an/a 2.10E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of ethoxyresorufin O-deethylation (EROD) in bicistronic bacterial membranes expressing human cytochrome P450 1B1


J Med Chem 45: 160-4 (2001)


Article DOI: 10.1021/jm010298j
BindingDB Entry DOI: 10.7270/Q2668CGD
More data for this
Ligand-Target Pair
Cytochrome P450 1B1


(Homo sapiens (Human))
BDBM50085526
PNG
((E)-3,5,30,40-Tetramethoxystilbene | 4-[(E)-2-(3,5...)
Show SMILES COc1cc(OC)cc(\C=C\c2ccc(OC)c(OC)c2)c1
Show InChI InChI=1S/C18H20O4/c1-19-15-9-14(10-16(12-15)20-2)6-5-13-7-8-17(21-3)18(11-13)22-4/h5-12H,1-4H3/b6-5+
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n/an/a 3.00E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of ethoxyresorufin O-deethylation (EROD) in bicistronic bacterial membranes expressing human cytochrome P450 1B1


J Med Chem 45: 160-4 (2001)


Article DOI: 10.1021/jm010298j
BindingDB Entry DOI: 10.7270/Q2668CGD
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50108052
PNG
(1-[(E)-2-(3,5-dimethoxyphenyl)vinyl]-2,4-dimethoxy...)
Show SMILES COc1ccc(\C=C\c2cc(OC)cc(OC)c2)c(OC)c1
Show InChI InChI=1S/C18H20O4/c1-19-15-8-7-14(18(12-15)22-4)6-5-13-9-16(20-2)11-17(10-13)21-3/h5-12H,1-4H3/b6-5+
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n/an/a 3.10E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of ethoxyresorufin O-deethylation (EROD) in bicistronic bacterial membranes expressing human cytochrome P450 1A2


J Med Chem 45: 160-4 (2001)


Article DOI: 10.1021/jm010298j
BindingDB Entry DOI: 10.7270/Q2668CGD
More data for this
Ligand-Target Pair
Cytochrome P450 1B1


(Homo sapiens (Human))
BDBM50108045
PNG
((trans)-5-(3,5-dimethoxystyryl)-1,2,3-trimethoxybe...)
Show SMILES COc1cc(OC)cc(\C=C\c2cc(OC)c(OC)c(OC)c2)c1
Show InChI InChI=1S/C19H22O5/c1-20-15-8-13(9-16(12-15)21-2)6-7-14-10-17(22-3)19(24-5)18(11-14)23-4/h6-12H,1-5H3/b7-6+
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n/an/a 3.20E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of ethoxyresorufin O-deethylation (EROD) in bicistronic bacterial membranes expressing human cytochrome P450 1B1


J Med Chem 45: 160-4 (2001)


Article DOI: 10.1021/jm010298j
BindingDB Entry DOI: 10.7270/Q2668CGD
More data for this
Ligand-Target Pair
Cytochrome P450 1B1


(Homo sapiens (Human))
BDBM50108053
PNG
((3,5-Dimethoxy-benzylidene)-(2,4-dimethoxy-phenyl)...)
Show SMILES COc1ccc(\N=C\c2cc(OC)cc(OC)c2)c(OC)c1
Show InChI InChI=1S/C17H19NO4/c1-19-13-5-6-16(17(10-13)22-4)18-11-12-7-14(20-2)9-15(8-12)21-3/h5-11H,1-4H3/b18-11+
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n/an/a 4.90E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of ethoxyresorufin O-deethylation (EROD) in bicistronic bacterial membranes expressing human cytochrome P450 1B1


J Med Chem 45: 160-4 (2001)


Article DOI: 10.1021/jm010298j
BindingDB Entry DOI: 10.7270/Q2668CGD
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50108044
PNG
(1-[(E)-2-(3,5-dimethoxyphenyl)vinyl]-2-fluoro-4-me...)
Show SMILES COc1ccc(\C=C\c2cc(OC)cc(OC)c2)c(F)c1
Show InChI InChI=1S/C17H17FO3/c1-19-14-7-6-13(17(18)11-14)5-4-12-8-15(20-2)10-16(9-12)21-3/h4-11H,1-3H3/b5-4+
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n/an/a 5.80E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of ethoxyresorufin O-deethylation (EROD) in bicistronic bacterial membranes expressing human cytochrome P450 1A2


J Med Chem 45: 160-4 (2001)


Article DOI: 10.1021/jm010298j
BindingDB Entry DOI: 10.7270/Q2668CGD
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM23928
PNG
(1,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]be...)
Show SMILES COc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1
Show InChI InChI=1S/C17H18O3/c1-18-15-8-6-13(7-9-15)4-5-14-10-16(19-2)12-17(11-14)20-3/h4-12H,1-3H3/b5-4+
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n/an/a 6.20E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of ethoxyresorufin O-deethylation (EROD) in bicistronic bacterial membranes expressing human cytochrome P450 1A2


J Med Chem 45: 160-4 (2001)


Article DOI: 10.1021/jm010298j
BindingDB Entry DOI: 10.7270/Q2668CGD
More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Homo sapiens (Human))
BDBM50108047
PNG
(3-[(E)-2-(3,5-Dimethoxy-phenyl)-vinyl]-furan | 3-[...)
Show SMILES COc1cc(OC)cc(\C=C\c2ccoc2)c1
Show InChI InChI=1S/C14H14O3/c1-15-13-7-12(8-14(9-13)16-2)4-3-11-5-6-17-10-11/h3-10H,1-2H3/b4-3+
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n/an/a 6.60E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of ethoxyresorufin O-deethylation (EROD) in bicistronic bacterial membranes epressing human cytochrome P450 1A1


J Med Chem 45: 160-4 (2001)


Article DOI: 10.1021/jm010298j
BindingDB Entry DOI: 10.7270/Q2668CGD
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50108046
PNG
((oxyresveratrol)4-[(E)-2-(3,5-dihydroxyphenyl)viny...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)c(O)c1
Show InChI InChI=1S/C14H12O4/c15-11-4-3-10(14(18)8-11)2-1-9-5-12(16)7-13(17)6-9/h1-8,15-18H/b2-1+
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n/an/a 1.50E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of ethoxyresorufin O-deethylation (EROD) in bicistronic bacterial membranes expressing human cytochrome P450 1A2


J Med Chem 45: 160-4 (2001)


Article DOI: 10.1021/jm010298j
BindingDB Entry DOI: 10.7270/Q2668CGD
More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Homo sapiens (Human))
BDBM50108046
PNG
((oxyresveratrol)4-[(E)-2-(3,5-dihydroxyphenyl)viny...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)c(O)c1
Show InChI InChI=1S/C14H12O4/c15-11-4-3-10(14(18)8-11)2-1-9-5-12(16)7-13(17)6-9/h1-8,15-18H/b2-1+
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n/an/a 1.50E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of ethoxyresorufin O-deethylation (EROD) in bicistronic bacterial membranes epressing human cytochrome P450 1A1


J Med Chem 45: 160-4 (2001)


Article DOI: 10.1021/jm010298j
BindingDB Entry DOI: 10.7270/Q2668CGD
More data for this
Ligand-Target Pair
Cytochrome P450 1B1


(Homo sapiens (Human))
BDBM50108049
PNG
((E)-3,5,30,50-Tetramethoxystilbene | 1-[(E)-2-(3,5...)
Show SMILES COc1cc(OC)cc(\C=C\c2cc(OC)cc(OC)c2)c1
Show InChI InChI=1S/C18H20O4/c1-19-15-7-13(8-16(11-15)20-2)5-6-14-9-17(21-3)12-18(10-14)22-4/h5-12H,1-4H3/b6-5+
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n/an/a 1.76E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of ethoxyresorufin O-deethylation (EROD) in bicistronic bacterial membranes expressing human cytochrome P450 1B1


J Med Chem 45: 160-4 (2001)


Article DOI: 10.1021/jm010298j
BindingDB Entry DOI: 10.7270/Q2668CGD
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50108050
PNG
(2-[(E)-2-(3,5-Dimethoxy-phenyl)-vinyl]-5-methoxy-p...)
Show SMILES COc1ccc(\C=C\c2cc(OC)cc(OC)c2)c(O)c1
Show InChI InChI=1S/C17H18O4/c1-19-14-7-6-13(17(18)11-14)5-4-12-8-15(20-2)10-16(9-12)21-3/h4-11,18H,1-3H3/b5-4+
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n/an/a 3.11E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of ethoxyresorufin O-deethylation (EROD) in bicistronic bacterial membranes expressing human cytochrome P450 1A2


J Med Chem 45: 160-4 (2001)


Article DOI: 10.1021/jm010298j
BindingDB Entry DOI: 10.7270/Q2668CGD
More data for this
Ligand-Target Pair
Cytochrome P450 1B1


(Homo sapiens (Human))
BDBM50108046
PNG
((oxyresveratrol)4-[(E)-2-(3,5-dihydroxyphenyl)viny...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)c(O)c1
Show InChI InChI=1S/C14H12O4/c15-11-4-3-10(14(18)8-11)2-1-9-5-12(16)7-13(17)6-9/h1-8,15-18H/b2-1+
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n/an/a 3.40E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of ethoxyresorufin O-deethylation (EROD) in bicistronic bacterial membranes expressing human cytochrome P450 1B1


J Med Chem 45: 160-4 (2001)


Article DOI: 10.1021/jm010298j
BindingDB Entry DOI: 10.7270/Q2668CGD
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50108051
PNG
(CHEMBL42427 | N-(2,4-Dimethoxy-phenyl)-3,5-dimetho...)
Show SMILES COc1ccc(NC(=O)c2cc(OC)cc(OC)c2)c(OC)c1
Show InChI InChI=1S/C17H19NO5/c1-20-12-5-6-15(16(10-12)23-4)18-17(19)11-7-13(21-2)9-14(8-11)22-3/h5-10H,1-4H3,(H,18,19)
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n/an/a 6.40E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of ethoxyresorufin O-deethylation (EROD) in bicistronic bacterial membranes expressing human cytochrome P450 1A2


J Med Chem 45: 160-4 (2001)


Article DOI: 10.1021/jm010298j
BindingDB Entry DOI: 10.7270/Q2668CGD
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50108049
PNG
((E)-3,5,30,50-Tetramethoxystilbene | 1-[(E)-2-(3,5...)
Show SMILES COc1cc(OC)cc(\C=C\c2cc(OC)cc(OC)c2)c1
Show InChI InChI=1S/C18H20O4/c1-19-15-7-13(8-16(11-15)20-2)5-6-14-9-17(21-3)12-18(10-14)22-4/h5-12H,1-4H3/b6-5+
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n/an/a 1.98E+5n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of ethoxyresorufin O-deethylation (EROD) in bicistronic bacterial membranes expressing human cytochrome P450 1A2


J Med Chem 45: 160-4 (2001)


Article DOI: 10.1021/jm010298j
BindingDB Entry DOI: 10.7270/Q2668CGD
More data for this
Ligand-Target Pair
Cytochrome P450 1A1


(Homo sapiens (Human))
BDBM50108053
PNG
((3,5-Dimethoxy-benzylidene)-(2,4-dimethoxy-phenyl)...)
Show SMILES COc1ccc(\N=C\c2cc(OC)cc(OC)c2)c(OC)c1
Show InChI InChI=1S/C17H19NO4/c1-19-13-5-6-16(17(10-13)22-4)18-11-12-7-14(20-2)9-15(8-12)21-3/h5-11H,1-4H3/b18-11+
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n/an/a 3.00E+5n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of ethoxyresorufin O-deethylation (EROD) in bicistronic bacterial membranes epressing human cytochrome P450 1A1


J Med Chem 45: 160-4 (2001)


Article DOI: 10.1021/jm010298j
BindingDB Entry DOI: 10.7270/Q2668CGD
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50085526
PNG
((E)-3,5,30,40-Tetramethoxystilbene | 4-[(E)-2-(3,5...)
Show SMILES COc1cc(OC)cc(\C=C\c2ccc(OC)c(OC)c2)c1
Show InChI InChI=1S/C18H20O4/c1-19-15-9-14(10-16(12-15)20-2)6-5-13-7-8-17(21-3)18(11-13)22-4/h5-12H,1-4H3/b6-5+
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n/an/a 5.70E+5n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of ethoxyresorufin O-deethylation (EROD) in bicistronic bacterial membranes expressing human cytochrome P450 1A2


J Med Chem 45: 160-4 (2001)


Article DOI: 10.1021/jm010298j
BindingDB Entry DOI: 10.7270/Q2668CGD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%