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Found 493 hits Enz. Inhib. hit(s) with Target = 'Aryl hydrocarbon receptor'   
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
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM23936
PNG
(1,3-dichloro-5-[(E)-2-[4-(trifluoromethyl)phenyl]e...)
Show SMILES FC(F)(F)c1ccc(\C=C\c2cc(Cl)cc(Cl)c2)cc1
Show InChI InChI=1S/C15H9Cl2F3/c16-13-7-11(8-14(17)9-13)2-1-10-3-5-12(6-4-10)15(18,19)20/h1-9H/b2-1+
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0.200n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Oryctolagus cuniculus (rabbit))
BDBM23936
PNG
(1,3-dichloro-5-[(E)-2-[4-(trifluoromethyl)phenyl]e...)
Show SMILES FC(F)(F)c1ccc(\C=C\c2cc(Cl)cc(Cl)c2)cc1
Show InChI InChI=1S/C15H9Cl2F3/c16-13-7-11(8-14(17)9-13)2-1-10-3-5-12(6-4-10)15(18,19)20/h1-9H/b2-1+
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0.200 -51.5n/an/an/an/an/a7.64



Institut Claudius Regaud



Assay Description
Cytosols from rabbit liver were incubated with [3H]-TCDD and 12 concentrations of unlabeled test ligands. IC50 values were determined using the itera...


J Med Chem 48: 287-91 (2005)


Article DOI: 10.1021/jm0498194
BindingDB Entry DOI: 10.7270/Q2WM1BQT
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Oryctolagus cuniculus (rabbit))
BDBM23929
PNG
(1,3-dichloro-5-[(E)-2-(4-chlorophenyl)ethenyl]benz...)
Show SMILES Clc1ccc(\C=C\c2cc(Cl)cc(Cl)c2)cc1
Show InChI InChI=1S/C14H9Cl3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9H/b2-1+
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1.20 -47.3n/an/an/an/an/a7.64



Institut Claudius Regaud



Assay Description
Cytosols from rabbit liver were incubated with [3H]-TCDD and 12 concentrations of unlabeled test ligands. IC50 values were determined using the itera...


J Med Chem 48: 287-91 (2005)


Article DOI: 10.1021/jm0498194
BindingDB Entry DOI: 10.7270/Q2WM1BQT
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Oryctolagus cuniculus (rabbit))
BDBM23937
PNG
(1,3-dichloro-5-[(E)-2-(4-methoxyphenyl)ethenyl]ben...)
Show SMILES COc1ccc(\C=C\c2cc(Cl)cc(Cl)c2)cc1
Show InChI InChI=1S/C15H12Cl2O/c1-18-15-6-4-11(5-7-15)2-3-12-8-13(16)10-14(17)9-12/h2-10H,1H3/b3-2+
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1.40 -47.0n/an/an/an/an/a7.64



Institut Claudius Regaud



Assay Description
Cytosols from rabbit liver were incubated with [3H]-TCDD and 12 concentrations of unlabeled test ligands. IC50 values were determined using the itera...


J Med Chem 48: 287-91 (2005)


Article DOI: 10.1021/jm0498194
BindingDB Entry DOI: 10.7270/Q2WM1BQT
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Oryctolagus cuniculus (rabbit))
BDBM23932
PNG
(1,3-bis(trifluoromethyl)-5-[(E)-2-[4-(trifluoromet...)
Show SMILES FC(F)(F)c1ccc(\C=C\c2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C17H9F9/c18-15(19,20)12-5-3-10(4-6-12)1-2-11-7-13(16(21,22)23)9-14(8-11)17(24,25)26/h1-9H/b2-1+
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2.10 -46.0n/an/an/an/an/a7.64



Institut Claudius Regaud



Assay Description
Cytosols from rabbit liver were incubated with [3H]-TCDD and 12 concentrations of unlabeled test ligands. IC50 values were determined using the itera...


J Med Chem 48: 287-91 (2005)


Article DOI: 10.1021/jm0498194
BindingDB Entry DOI: 10.7270/Q2WM1BQT
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Oryctolagus cuniculus (rabbit))
BDBM23933
PNG
(1-[(E)-2-(4-fluorophenyl)ethenyl]-3,5-dimethoxyben...)
Show SMILES COc1cc(OC)cc(\C=C\c2ccc(F)cc2)c1
Show InChI InChI=1S/C16H15FO2/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11H,1-2H3/b4-3+
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3.10 -45.1n/an/an/an/an/a7.64



Institut Claudius Regaud



Assay Description
Cytosols from rabbit liver were incubated with [3H]-TCDD and 12 concentrations of unlabeled test ligands. IC50 values were determined using the itera...


J Med Chem 48: 287-91 (2005)


Article DOI: 10.1021/jm0498194
BindingDB Entry DOI: 10.7270/Q2WM1BQT
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Oryctolagus cuniculus (rabbit))
BDBM23931
PNG
(1,3-difluoro-5-[(E)-2-(4-fluorophenyl)ethenyl]benz...)
Show SMILES Fc1ccc(\C=C\c2cc(F)cc(F)c2)cc1
Show InChI InChI=1S/C14H9F3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9H/b2-1+
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3.80 -44.7n/an/an/an/an/a7.64



Institut Claudius Regaud



Assay Description
Cytosols from rabbit liver were incubated with [3H]-TCDD and 12 concentrations of unlabeled test ligands. IC50 values were determined using the itera...


J Med Chem 48: 287-91 (2005)


Article DOI: 10.1021/jm0498194
BindingDB Entry DOI: 10.7270/Q2WM1BQT
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Oryctolagus cuniculus (rabbit))
BDBM23934
PNG
(1-[(E)-2-(4-ethoxyphenyl)ethenyl]-3,5-dimethoxyben...)
Show SMILES CCOc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1
Show InChI InChI=1S/C18H20O3/c1-4-21-16-9-7-14(8-10-16)5-6-15-11-17(19-2)13-18(12-15)20-3/h5-13H,4H2,1-3H3/b6-5+
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5 -44.0n/an/an/an/an/a7.64



Institut Claudius Regaud



Assay Description
Cytosols from rabbit liver were incubated with [3H]-TCDD and 12 concentrations of unlabeled test ligands. IC50 values were determined using the itera...


J Med Chem 48: 287-91 (2005)


Article DOI: 10.1021/jm0498194
BindingDB Entry DOI: 10.7270/Q2WM1BQT
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Oryctolagus cuniculus (rabbit))
BDBM23939
PNG
(1,3-dichloro-5-[(E)-2-(3-methoxyphenyl)ethenyl]ben...)
Show SMILES COc1cccc(\C=C\c2cc(Cl)cc(Cl)c2)c1
Show InChI InChI=1S/C15H12Cl2O/c1-18-15-4-2-3-11(9-15)5-6-12-7-13(16)10-14(17)8-12/h2-10H,1H3/b6-5+
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5.70 -43.7n/an/an/an/an/a7.64



Institut Claudius Regaud



Assay Description
Cytosols from rabbit liver were incubated with [3H]-TCDD and 12 concentrations of unlabeled test ligands. IC50 values were determined using the itera...


J Med Chem 48: 287-91 (2005)


Article DOI: 10.1021/jm0498194
BindingDB Entry DOI: 10.7270/Q2WM1BQT
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Rattus norvegicus)
BDBM50240990
PNG
(2-(3,4-dimethoxyphenyl)-5-fluorobenzothiazole | 5-...)
Show SMILES COc1ccc(cc1OC)-c1nc2cc(F)ccc2s1
Show InChI InChI=1S/C15H12FNO2S/c1-18-12-5-3-9(7-13(12)19-2)15-17-11-8-10(16)4-6-14(11)20-15/h3-8H,1-2H3
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6.80n/an/an/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Displacement of [3H]tetrachlorodibenzo-p-dioxin from aryl hydrocarbon receptor in CRL:WI rat liver cytosol


J Med Chem 51: 5135-9 (2008)


Article DOI: 10.1021/jm800418z
BindingDB Entry DOI: 10.7270/Q23X86F6
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Oryctolagus cuniculus (rabbit))
BDBM23938
PNG
(1,3-dichloro-5-[(E)-2-[3-(trifluoromethyl)phenyl]e...)
Show SMILES FC(F)(F)c1cccc(\C=C\c2cc(Cl)cc(Cl)c2)c1
Show InChI InChI=1S/C15H9Cl2F3/c16-13-7-11(8-14(17)9-13)5-4-10-2-1-3-12(6-10)15(18,19)20/h1-9H/b5-4+
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6.80 -43.3n/an/an/an/an/a7.64



Institut Claudius Regaud



Assay Description
Cytosols from rabbit liver were incubated with [3H]-TCDD and 12 concentrations of unlabeled test ligands. IC50 values were determined using the itera...


J Med Chem 48: 287-91 (2005)


Article DOI: 10.1021/jm0498194
BindingDB Entry DOI: 10.7270/Q2WM1BQT
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Oryctolagus cuniculus (rabbit))
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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7.70 -43.0n/an/an/an/an/a7.64



Institut Claudius Regaud



Assay Description
Cytosols from rabbit liver were incubated with [3H]-TCDD and 12 concentrations of unlabeled test ligands. IC50 values were determined using the itera...


J Med Chem 48: 287-91 (2005)


Article DOI: 10.1021/jm0498194
BindingDB Entry DOI: 10.7270/Q2WM1BQT
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Oryctolagus cuniculus (rabbit))
BDBM23930
PNG
(1,3-difluoro-5-[(E)-2-(4-methoxyphenyl)ethenyl]ben...)
Show SMILES COc1ccc(\C=C\c2cc(F)cc(F)c2)cc1
Show InChI InChI=1S/C15H12F2O/c1-18-15-6-4-11(5-7-15)2-3-12-8-13(16)10-14(17)9-12/h2-10H,1H3/b3-2+
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9.20 -42.6n/an/an/an/an/a7.64



Institut Claudius Regaud



Assay Description
Cytosols from rabbit liver were incubated with [3H]-TCDD and 12 concentrations of unlabeled test ligands. IC50 values were determined using the itera...


J Med Chem 48: 287-91 (2005)


Article DOI: 10.1021/jm0498194
BindingDB Entry DOI: 10.7270/Q2WM1BQT
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Mus musculus (Mouse))
BDBM50506039
PNG
(CHEMBL1324296 | US11891386, Compound 002)
Show SMILES COC(=O)c1csc(n1)C(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C14H10N2O3S/c1-19-14(18)11-7-20-13(16-11)12(17)9-6-15-10-5-3-2-4-8(9)10/h2-7,15H,1H3
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10n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00208
BindingDB Entry DOI: 10.7270/Q27D3076
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM23940
PNG
(1,3-dimethoxy-5-[(Z)-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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12n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to aryl hydrocarbon receptor (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-009-9236-2
BindingDB Entry DOI: 10.7270/Q23X89HB
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM23946
PNG
(1-[(Z)-2-(4-ethoxyphenyl)ethenyl]-3,5-dimethoxyben...)
Show SMILES CCOc1ccc(\C=C/c2cc(OC)cc(OC)c2)cc1
Show InChI InChI=1S/C18H20O3/c1-4-21-16-9-7-14(8-10-16)5-6-15-11-17(19-2)13-18(12-15)20-3/h5-13H,4H2,1-3H3/b6-5-
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TBA

Assay Description
Binding affinity to aryl hydrocarbon receptor (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-009-9236-2
BindingDB Entry DOI: 10.7270/Q23X89HB
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM23947
PNG
(1-[(Z)-2-(4-butoxyphenyl)ethenyl]-3,5-dimethoxyben...)
Show SMILES CCCCOc1ccc(\C=C/c2cc(OC)cc(OC)c2)cc1
Show InChI InChI=1S/C20H24O3/c1-4-5-12-23-18-10-8-16(9-11-18)6-7-17-13-19(21-2)15-20(14-17)22-3/h6-11,13-15H,4-5,12H2,1-3H3/b7-6-
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12n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to aryl hydrocarbon receptor (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-009-9236-2
BindingDB Entry DOI: 10.7270/Q23X89HB
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM23949
PNG
(1,3-dichloro-5-[(Z)-2-(4-methoxyphenyl)ethenyl]ben...)
Show SMILES COc1ccc(\C=C/c2cc(Cl)cc(Cl)c2)cc1
Show InChI InChI=1S/C15H12Cl2O/c1-18-15-6-4-11(5-7-15)2-3-12-8-13(16)10-14(17)9-12/h2-10H,1H3/b3-2-
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TBA

Assay Description
Binding affinity to aryl hydrocarbon receptor (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-009-9236-2
BindingDB Entry DOI: 10.7270/Q23X89HB
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM23940
PNG
(1,3-dimethoxy-5-[(Z)-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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TBA

Assay Description
Binding affinity to aryl hydrocarbon receptor (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-009-9236-2
BindingDB Entry DOI: 10.7270/Q23X89HB
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM23941
PNG
(1,3-dichloro-5-[(Z)-2-(4-chlorophenyl)ethenyl]benz...)
Show SMILES Clc1ccc(\C=C/c2cc(Cl)cc(Cl)c2)cc1
Show InChI InChI=1S/C14H9Cl3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9H/b2-1-
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12n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to aryl hydrocarbon receptor (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-009-9236-2
BindingDB Entry DOI: 10.7270/Q23X89HB
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM23947
PNG
(1-[(Z)-2-(4-butoxyphenyl)ethenyl]-3,5-dimethoxyben...)
Show SMILES CCCCOc1ccc(\C=C/c2cc(OC)cc(OC)c2)cc1
Show InChI InChI=1S/C20H24O3/c1-4-5-12-23-18-10-8-16(9-11-18)6-7-17-13-19(21-2)15-20(14-17)22-3/h6-11,13-15H,4-5,12H2,1-3H3/b7-6-
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12n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to aryl hydrocarbon receptor (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-009-9236-2
BindingDB Entry DOI: 10.7270/Q23X89HB
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM23949
PNG
(1,3-dichloro-5-[(Z)-2-(4-methoxyphenyl)ethenyl]ben...)
Show SMILES COc1ccc(\C=C/c2cc(Cl)cc(Cl)c2)cc1
Show InChI InChI=1S/C15H12Cl2O/c1-18-15-6-4-11(5-7-15)2-3-12-8-13(16)10-14(17)9-12/h2-10H,1H3/b3-2-
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TBA

Assay Description
Binding affinity to aryl hydrocarbon receptor (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-009-9236-2
BindingDB Entry DOI: 10.7270/Q23X89HB
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM23946
PNG
(1-[(Z)-2-(4-ethoxyphenyl)ethenyl]-3,5-dimethoxyben...)
Show SMILES CCOc1ccc(\C=C/c2cc(OC)cc(OC)c2)cc1
Show InChI InChI=1S/C18H20O3/c1-4-21-16-9-7-14(8-10-16)5-6-15-11-17(19-2)13-18(12-15)20-3/h5-13H,4H2,1-3H3/b6-5-
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12n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to aryl hydrocarbon receptor (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-009-9236-2
BindingDB Entry DOI: 10.7270/Q23X89HB
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM23941
PNG
(1,3-dichloro-5-[(Z)-2-(4-chlorophenyl)ethenyl]benz...)
Show SMILES Clc1ccc(\C=C/c2cc(Cl)cc(Cl)c2)cc1
Show InChI InChI=1S/C14H9Cl3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9H/b2-1-
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12n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to aryl hydrocarbon receptor (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-009-9236-2
BindingDB Entry DOI: 10.7270/Q23X89HB
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Oryctolagus cuniculus (rabbit))
BDBM23949
PNG
(1,3-dichloro-5-[(Z)-2-(4-methoxyphenyl)ethenyl]ben...)
Show SMILES COc1ccc(\C=C/c2cc(Cl)cc(Cl)c2)cc1
Show InChI InChI=1S/C15H12Cl2O/c1-18-15-6-4-11(5-7-15)2-3-12-8-13(16)10-14(17)9-12/h2-10H,1H3/b3-2-
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12 -42.0n/an/an/an/an/a7.64



Institut Claudius Regaud



Assay Description
Cytosols from rabbit liver were incubated with [3H]-TCDD and 12 concentrations of unlabeled test ligands. IC50 values were determined using the itera...


J Med Chem 48: 287-91 (2005)


Article DOI: 10.1021/jm0498194
BindingDB Entry DOI: 10.7270/Q2WM1BQT
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Oryctolagus cuniculus (rabbit))
BDBM23941
PNG
(1,3-dichloro-5-[(Z)-2-(4-chlorophenyl)ethenyl]benz...)
Show SMILES Clc1ccc(\C=C/c2cc(Cl)cc(Cl)c2)cc1
Show InChI InChI=1S/C14H9Cl3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9H/b2-1-
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13 -41.8n/an/an/an/an/a7.64



Institut Claudius Regaud



Assay Description
Cytosols from rabbit liver were incubated with [3H]-TCDD and 12 concentrations of unlabeled test ligands. IC50 values were determined using the itera...


J Med Chem 48: 287-91 (2005)


Article DOI: 10.1021/jm0498194
BindingDB Entry DOI: 10.7270/Q2WM1BQT
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Oryctolagus cuniculus (rabbit))
BDBM23948
PNG
(1,3-dichloro-5-[(Z)-2-[4-(trifluoromethyl)phenyl]e...)
Show SMILES FC(F)(F)c1ccc(\C=C/c2cc(Cl)cc(Cl)c2)cc1
Show InChI InChI=1S/C15H9Cl2F3/c16-13-7-11(8-14(17)9-13)2-1-10-3-5-12(6-4-10)15(18,19)20/h1-9H/b2-1-
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14 -41.7n/an/an/an/an/a7.64



Institut Claudius Regaud



Assay Description
Cytosols from rabbit liver were incubated with [3H]-TCDD and 12 concentrations of unlabeled test ligands. IC50 values were determined using the itera...


J Med Chem 48: 287-91 (2005)


Article DOI: 10.1021/jm0498194
BindingDB Entry DOI: 10.7270/Q2WM1BQT
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Oryctolagus cuniculus (rabbit))
BDBM23950
PNG
(1,3-dichloro-5-[(Z)-2-[3-(trifluoromethyl)phenyl]e...)
Show SMILES FC(F)(F)c1cccc(\C=C/c2cc(Cl)cc(Cl)c2)c1
Show InChI InChI=1S/C15H9Cl2F3/c16-13-7-11(8-14(17)9-13)5-4-10-2-1-3-12(6-10)15(18,19)20/h1-9H/b5-4-
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19 -41.0n/an/an/an/an/a7.64



Institut Claudius Regaud



Assay Description
Cytosols from rabbit liver were incubated with [3H]-TCDD and 12 concentrations of unlabeled test ligands. IC50 values were determined using the itera...


J Med Chem 48: 287-91 (2005)


Article DOI: 10.1021/jm0498194
BindingDB Entry DOI: 10.7270/Q2WM1BQT
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Oryctolagus cuniculus (rabbit))
BDBM23935
PNG
(1-[(E)-2-(4-butoxyphenyl)ethenyl]-3,5-dimethoxyben...)
Show SMILES CCCCOc1ccc(\C=C\c2cc(OC)cc(OC)c2)cc1
Show InChI InChI=1S/C20H24O3/c1-4-5-12-23-18-10-8-16(9-11-18)6-7-17-13-19(21-2)15-20(14-17)22-3/h6-11,13-15H,4-5,12H2,1-3H3/b7-6+
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20 -40.8n/an/an/an/an/a7.64



Institut Claudius Regaud



Assay Description
Cytosols from rabbit liver were incubated with [3H]-TCDD and 12 concentrations of unlabeled test ligands. IC50 values were determined using the itera...


J Med Chem 48: 287-91 (2005)


Article DOI: 10.1021/jm0498194
BindingDB Entry DOI: 10.7270/Q2WM1BQT
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Oryctolagus cuniculus (rabbit))
BDBM23942
PNG
(1,3-difluoro-5-[(Z)-2-(4-methoxyphenyl)ethenyl]ben...)
Show SMILES COc1ccc(\C=C/c2cc(F)cc(F)c2)cc1
Show InChI InChI=1S/C15H12F2O/c1-18-15-6-4-11(5-7-15)2-3-12-8-13(16)10-14(17)9-12/h2-10H,1H3/b3-2-
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22 -40.6n/an/an/an/an/a7.64



Institut Claudius Regaud



Assay Description
Cytosols from rabbit liver were incubated with [3H]-TCDD and 12 concentrations of unlabeled test ligands. IC50 values were determined using the itera...


J Med Chem 48: 287-91 (2005)


Article DOI: 10.1021/jm0498194
BindingDB Entry DOI: 10.7270/Q2WM1BQT
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Oryctolagus cuniculus (rabbit))
BDBM23951
PNG
(1,3-dichloro-5-[(Z)-2-(3-methoxyphenyl)ethenyl]ben...)
Show SMILES COc1cccc(\C=C/c2cc(Cl)cc(Cl)c2)c1
Show InChI InChI=1S/C15H12Cl2O/c1-18-15-4-2-3-11(9-15)5-6-12-7-13(16)10-14(17)8-12/h2-10H,1H3/b6-5-
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24 -40.4n/an/an/an/an/a7.64



Institut Claudius Regaud



Assay Description
Cytosols from rabbit liver were incubated with [3H]-TCDD and 12 concentrations of unlabeled test ligands. IC50 values were determined using the itera...


J Med Chem 48: 287-91 (2005)


Article DOI: 10.1021/jm0498194
BindingDB Entry DOI: 10.7270/Q2WM1BQT
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Oryctolagus cuniculus (rabbit))
BDBM23947
PNG
(1-[(Z)-2-(4-butoxyphenyl)ethenyl]-3,5-dimethoxyben...)
Show SMILES CCCCOc1ccc(\C=C/c2cc(OC)cc(OC)c2)cc1
Show InChI InChI=1S/C20H24O3/c1-4-5-12-23-18-10-8-16(9-11-18)6-7-17-13-19(21-2)15-20(14-17)22-3/h6-11,13-15H,4-5,12H2,1-3H3/b7-6-
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43 -39.1n/an/an/an/an/a7.64



Institut Claudius Regaud



Assay Description
Cytosols from rabbit liver were incubated with [3H]-TCDD and 12 concentrations of unlabeled test ligands. IC50 values were determined using the itera...


J Med Chem 48: 287-91 (2005)


Article DOI: 10.1021/jm0498194
BindingDB Entry DOI: 10.7270/Q2WM1BQT
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Oryctolagus cuniculus (rabbit))
BDBM23944
PNG
(1,3-bis(trifluoromethyl)-5-[(Z)-2-[4-(trifluoromet...)
Show SMILES FC(F)(F)c1ccc(\C=C/c2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C17H9F9/c18-15(19,20)12-5-3-10(4-6-12)1-2-11-7-13(16(21,22)23)9-14(8-11)17(24,25)26/h1-9H/b2-1-
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60 -38.3n/an/an/an/an/a7.64



Institut Claudius Regaud



Assay Description
Cytosols from rabbit liver were incubated with [3H]-TCDD and 12 concentrations of unlabeled test ligands. IC50 values were determined using the itera...


J Med Chem 48: 287-91 (2005)


Article DOI: 10.1021/jm0498194
BindingDB Entry DOI: 10.7270/Q2WM1BQT
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Oryctolagus cuniculus (rabbit))
BDBM23943
PNG
(1,3-difluoro-5-[(Z)-2-(4-fluorophenyl)ethenyl]benz...)
Show SMILES Fc1ccc(\C=C/c2cc(F)cc(F)c2)cc1
Show InChI InChI=1S/C14H9F3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9H/b2-1-
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63 -38.2n/an/an/an/an/a7.64



Institut Claudius Regaud



Assay Description
Cytosols from rabbit liver were incubated with [3H]-TCDD and 12 concentrations of unlabeled test ligands. IC50 values were determined using the itera...


J Med Chem 48: 287-91 (2005)


Article DOI: 10.1021/jm0498194
BindingDB Entry DOI: 10.7270/Q2WM1BQT
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Oryctolagus cuniculus (rabbit))
BDBM23946
PNG
(1-[(Z)-2-(4-ethoxyphenyl)ethenyl]-3,5-dimethoxyben...)
Show SMILES CCOc1ccc(\C=C/c2cc(OC)cc(OC)c2)cc1
Show InChI InChI=1S/C18H20O3/c1-4-21-16-9-7-14(8-10-16)5-6-15-11-17(19-2)13-18(12-15)20-3/h5-13H,4H2,1-3H3/b6-5-
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65 -38.1n/an/an/an/an/a7.64



Institut Claudius Regaud



Assay Description
Cytosols from rabbit liver were incubated with [3H]-TCDD and 12 concentrations of unlabeled test ligands. IC50 values were determined using the itera...


J Med Chem 48: 287-91 (2005)


Article DOI: 10.1021/jm0498194
BindingDB Entry DOI: 10.7270/Q2WM1BQT
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Oryctolagus cuniculus (rabbit))
BDBM23940
PNG
(1,3-dimethoxy-5-[(Z)-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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75 -37.8n/an/an/an/an/a7.64



Institut Claudius Regaud



Assay Description
Cytosols from rabbit liver were incubated with [3H]-TCDD and 12 concentrations of unlabeled test ligands. IC50 values were determined using the itera...


J Med Chem 48: 287-91 (2005)


Article DOI: 10.1021/jm0498194
BindingDB Entry DOI: 10.7270/Q2WM1BQT
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM50605060
PNG
(CHEMBL5198290 | US11891386, Compound 004)
Show SMILES CNC(=O)c1csc(n1)C(=O)c1c[nH]c2ccccc12
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88n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Mus musculus (Mouse))
BDBM50605060
PNG
(CHEMBL5198290 | US11891386, Compound 004)
Show SMILES CNC(=O)c1csc(n1)C(=O)c1c[nH]c2ccccc12
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88n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00208
BindingDB Entry DOI: 10.7270/Q27D3076
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Oryctolagus cuniculus (rabbit))
BDBM23945
PNG
(1-[(Z)-2-(4-fluorophenyl)ethenyl]-3,5-dimethoxyben...)
Show SMILES COc1cc(OC)cc(\C=C/c2ccc(F)cc2)c1
Show InChI InChI=1S/C16H15FO2/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11H,1-2H3/b4-3-
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96 -37.2n/an/an/an/an/a7.64



Institut Claudius Regaud



Assay Description
Cytosols from rabbit liver were incubated with [3H]-TCDD and 12 concentrations of unlabeled test ligands. IC50 values were determined using the itera...


J Med Chem 48: 287-91 (2005)


Article DOI: 10.1021/jm0498194
BindingDB Entry DOI: 10.7270/Q2WM1BQT
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Oryctolagus cuniculus (rabbit))
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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169 -35.9n/an/an/an/an/a7.64



Institut Claudius Regaud



Assay Description
Cytosols from rabbit liver were incubated with [3H]-TCDD and 12 concentrations of unlabeled test ligands. IC50 values were determined using the itera...


J Med Chem 48: 287-91 (2005)


Article DOI: 10.1021/jm0498194
BindingDB Entry DOI: 10.7270/Q2WM1BQT
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Mus musculus (Mouse))
BDBM50605061
PNG
(CHEMBL5179114)
Show SMILES COc1ccc(Cn2cc(C(=O)c3nccs3)c3ccccc23)cc1
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800n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00208
BindingDB Entry DOI: 10.7270/Q27D3076
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM50506041
PNG
(CHEBI:16946 | L-kynurenine)
Show SMILES N[C@@H](CC(=O)c1ccccc1N)C(O)=O
Show InChI InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/m0/s1
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2.16E+4n/an/an/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of AhR (unknown origin)


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111842
BindingDB Entry DOI: 10.7270/Q2N019SX
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM23945
PNG
(1-[(Z)-2-(4-fluorophenyl)ethenyl]-3,5-dimethoxyben...)
Show SMILES COc1cc(OC)cc(\C=C/c2ccc(F)cc2)c1
Show InChI InChI=1S/C16H15FO2/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11H,1-2H3/b4-3-
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1.04E+7n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to aryl hydrocarbon receptor (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-007-9055-2
BindingDB Entry DOI: 10.7270/Q2M32ZPJ
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM23940
PNG
(1,3-dimethoxy-5-[(Z)-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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1.33E+7n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to aryl hydrocarbon receptor (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-007-9055-2
BindingDB Entry DOI: 10.7270/Q2M32ZPJ
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM23946
PNG
(1-[(Z)-2-(4-ethoxyphenyl)ethenyl]-3,5-dimethoxyben...)
Show SMILES CCOc1ccc(\C=C/c2cc(OC)cc(OC)c2)cc1
Show InChI InChI=1S/C18H20O3/c1-4-21-16-9-7-14(8-10-16)5-6-15-11-17(19-2)13-18(12-15)20-3/h5-13H,4H2,1-3H3/b6-5-
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1.54E+7n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to aryl hydrocarbon receptor (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-007-9055-2
BindingDB Entry DOI: 10.7270/Q2M32ZPJ
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM23943
PNG
(1,3-difluoro-5-[(Z)-2-(4-fluorophenyl)ethenyl]benz...)
Show SMILES Fc1ccc(\C=C/c2cc(F)cc(F)c2)cc1
Show InChI InChI=1S/C14H9F3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9H/b2-1-
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1.59E+7n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to aryl hydrocarbon receptor (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-007-9055-2
BindingDB Entry DOI: 10.7270/Q2M32ZPJ
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM23944
PNG
(1,3-bis(trifluoromethyl)-5-[(Z)-2-[4-(trifluoromet...)
Show SMILES FC(F)(F)c1ccc(\C=C/c2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C17H9F9/c18-15(19,20)12-5-3-10(4-6-12)1-2-11-7-13(16(21,22)23)9-14(8-11)17(24,25)26/h1-9H/b2-1-
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1.67E+7n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to aryl hydrocarbon receptor (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-007-9055-2
BindingDB Entry DOI: 10.7270/Q2M32ZPJ
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM23947
PNG
(1-[(Z)-2-(4-butoxyphenyl)ethenyl]-3,5-dimethoxyben...)
Show SMILES CCCCOc1ccc(\C=C/c2cc(OC)cc(OC)c2)cc1
Show InChI InChI=1S/C20H24O3/c1-4-5-12-23-18-10-8-16(9-11-18)6-7-17-13-19(21-2)15-20(14-17)22-3/h6-11,13-15H,4-5,12H2,1-3H3/b7-6-
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Article
2.33E+7n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to aryl hydrocarbon receptor (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-007-9055-2
BindingDB Entry DOI: 10.7270/Q2M32ZPJ
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM23951
PNG
(1,3-dichloro-5-[(Z)-2-(3-methoxyphenyl)ethenyl]ben...)
Show SMILES COc1cccc(\C=C/c2cc(Cl)cc(Cl)c2)c1
Show InChI InChI=1S/C15H12Cl2O/c1-18-15-4-2-3-11(9-15)5-6-12-7-13(16)10-14(17)8-12/h2-10H,1H3/b6-5-
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Article
4.17E+7n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to aryl hydrocarbon receptor (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-007-9055-2
BindingDB Entry DOI: 10.7270/Q2M32ZPJ
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM23942
PNG
(1,3-difluoro-5-[(Z)-2-(4-methoxyphenyl)ethenyl]ben...)
Show SMILES COc1ccc(\C=C/c2cc(F)cc(F)c2)cc1
Show InChI InChI=1S/C15H12F2O/c1-18-15-6-4-11(5-7-15)2-3-12-8-13(16)10-14(17)9-12/h2-10H,1H3/b3-2-
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Article
4.55E+7n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to aryl hydrocarbon receptor (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-007-9055-2
BindingDB Entry DOI: 10.7270/Q2M32ZPJ
More data for this
Ligand-Target Pair
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