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Compile Data Set for Download or QSAR

Found 334 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


(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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n/an/a 25n/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


(Homo sapiens (Human))
BDBM7462
PNG
(3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H
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n/an/a 28n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of aryl hydrocarbon receptor


Bioorg Med Chem 15: 5047-60 (2007)


Article DOI: 10.1016/j.bmc.2007.05.046
BindingDB Entry DOI: 10.7270/Q20R9Q7F
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM50269353
PNG
(CHEMBL4105559)
Show SMILES COc1ccccc1\C=C\C(=O)c1ccc[nH]1
Show InChI InChI=1S/C14H13NO2/c1-17-14-7-3-2-5-11(14)8-9-13(16)12-6-4-10-15-12/h2-10,15H,1H3/b9-8+
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n/an/a 1.50E+3n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Antagonist activity at human AhR expressed in Saccharomyces cerevisiae W303-1A (ATCC 208352) transformed with an episomal plasmid containing a minima...


Bioorg Med Chem Lett 27: 3683-3687 (2017)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM50191420
PNG
((2'Z,3'E)-7-bromoindirubin-3'-[O-(2-piperazin-1-yl...)
Show SMILES Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2\C1=N/OCCN1CCNCC1
Show InChI InChI=1S/C22H22BrN5O2/c23-16-6-3-5-15-18(22(29)26-19(15)16)21-20(14-4-1-2-7-17(14)25-21)27-30-13-12-28-10-8-24-9-11-28/h1-7,24,26,29H,8-13H2/b27-20+
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n/an/a 5.20E+3n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Survival of mouse AhR +/+ 5L cells after 48 hrs by MTS reduction assay


J Med Chem 49: 4638-49 (2006)


Article DOI: 10.1021/jm060314i
BindingDB Entry DOI: 10.7270/Q21G0N3Z
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM50191436
PNG
((2'Z,3'E)-7-bromoindirubin-3'-[O-(2-piperazin-1-yl...)
Show SMILES Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2\C1=N/OCC[NH+]1CC[NH2+]CC1
Show InChI InChI=1S/C22H22BrN5O2/c23-16-6-3-5-15-18(22(29)26-19(15)16)21-20(14-4-1-2-7-17(14)25-21)27-30-13-12-28-10-8-24-9-11-28/h1-7,24,26,29H,8-13H2/p+2/b27-20+
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n/an/a 5.40E+3n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Survival of mouse AhR +/+ 5L cells after 48 hrs by MTS reduction assay


J Med Chem 49: 4638-49 (2006)


Article DOI: 10.1021/jm060314i
BindingDB Entry DOI: 10.7270/Q21G0N3Z
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM50269354
PNG
(CHEMBL1335197)
Show SMILES Clc1ccccc1\C=C\C(=O)c1ccc[nH]1
Show InChI InChI=1S/C13H10ClNO/c14-11-5-2-1-4-10(11)7-8-13(16)12-6-3-9-15-12/h1-9,15H/b8-7+
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n/an/a 7.60E+3n/an/an/an/an/an/a



De Montfort University

Curated by ChEMBL


Assay Description
Antagonist activity at human AhR expressed in Saccharomyces cerevisiae W303-1A (ATCC 208352) transformed with an episomal plasmid containing a minima...


Bioorg Med Chem Lett 27: 3683-3687 (2017)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM50191401
PNG
((2'Z,3' E)-1-methyl-7-bromoindirubin-3'-[O-(2-pyrr...)
Show SMILES Cn1c(O)c(C2=Nc3ccccc3\C2=N/OCC[NH+]2CCCC2)c2cccc(Br)c12
Show InChI InChI=1S/C23H23BrN4O2/c1-27-22-16(8-6-9-17(22)24)19(23(27)29)21-20(15-7-2-3-10-18(15)25-21)26-30-14-13-28-11-4-5-12-28/h2-3,6-10,29H,4-5,11-14H2,1H3/p+1/b26-20+
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n/an/a 1.30E+4n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Survival of mouse AhR +/+ 5L cells after 48 hrs by MTS reduction assay


J Med Chem 49: 4638-49 (2006)


Article DOI: 10.1021/jm060314i
BindingDB Entry DOI: 10.7270/Q21G0N3Z
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM50191395
PNG
((2'Z,3'E)-1-methyl-7-bromoindirubin-3'-[O-(2-pyrro...)
Show SMILES Cn1c(O)c(C2=Nc3ccccc3\C2=N/OCCN2CCCC2)c2cccc(Br)c12
Show InChI InChI=1S/C23H23BrN4O2/c1-27-22-16(8-6-9-17(22)24)19(23(27)29)21-20(15-7-2-3-10-18(15)25-21)26-30-14-13-28-11-4-5-12-28/h2-3,6-10,29H,4-5,11-14H2,1H3/b26-20+
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n/an/a 1.88E+4n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Survival of mouse AhR +/+ 5L cells after 48 hrs by MTS reduction assay


J Med Chem 49: 4638-49 (2006)


Article DOI: 10.1021/jm060314i
BindingDB Entry DOI: 10.7270/Q21G0N3Z
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM50191405
PNG
((2'Z,3'E)-7-bromoindirubin-3'-oxime | CHEMBL373834)
Show SMILES Oc1[nH]c2c(Br)cccc2c1-c1[nH]c2ccccc2c1N=O
Show InChI InChI=1S/C16H10BrN3O2/c17-10-6-3-5-9-12(16(21)19-13(9)10)15-14(20-22)8-4-1-2-7-11(8)18-15/h1-7,18-19,21H
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n/an/a 2.00E+4n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Survival of mouse AhR +/+ 5L cells after 48 hrs by MTS reduction assay


J Med Chem 49: 4638-49 (2006)


Article DOI: 10.1021/jm060314i
BindingDB Entry DOI: 10.7270/Q21G0N3Z
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM50191422
PNG
((2'Z,3'E)-1-methyl-7-bromoindirubin-3'-[O-(2-dimet...)
Show SMILES C[NH+](C)CCO\N=C1\C(=Nc2ccccc12)c1c(O)n(C)c2c(Br)cccc12
Show InChI InChI=1S/C21H21BrN4O2/c1-25(2)11-12-28-24-18-13-7-4-5-10-16(13)23-19(18)17-14-8-6-9-15(22)20(14)26(3)21(17)27/h4-10,27H,11-12H2,1-3H3/p+1/b24-18+
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n/an/a 2.40E+4n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Survival of mouse AhR +/+ 5L cells after 48 hrs by MTS reduction assay


J Med Chem 49: 4638-49 (2006)


Article DOI: 10.1021/jm060314i
BindingDB Entry DOI: 10.7270/Q21G0N3Z
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM50191396
PNG
((2'Z,3'E)-7-bromoindirubin-3'-[O-(2-dimethylaminoe...)
Show SMILES CN(C)CCO\N=C1\C(=Nc2ccccc12)c1c(O)[nH]c2c(Br)cccc12
Show InChI InChI=1S/C20H19BrN4O2/c1-25(2)10-11-27-24-18-12-6-3-4-9-15(12)22-19(18)16-13-7-5-8-14(21)17(13)23-20(16)26/h3-9,23,26H,10-11H2,1-2H3/b24-18+
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n/an/a 2.50E+4n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Survival of mouse AhR +/+ 5L cells after 48 hrs by MTS reduction assay


J Med Chem 49: 4638-49 (2006)


Article DOI: 10.1021/jm060314i
BindingDB Entry DOI: 10.7270/Q21G0N3Z
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM50191411
PNG
((2'Z,3'E)-7-bromoindirubin-3'-[O-(2-dimethylaminoe...)
Show SMILES C[NH+](C)CCO\N=C1\C(=Nc2ccccc12)c1c(O)[nH]c2c(Br)cccc12
Show InChI InChI=1S/C20H19BrN4O2/c1-25(2)10-11-27-24-18-12-6-3-4-9-15(12)22-19(18)16-13-7-5-8-14(21)17(13)23-20(16)26/h3-9,23,26H,10-11H2,1-2H3/p+1/b24-18+
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n/an/a>3.00E+4n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Survival of mouse AhR +/+ 5L cells after 48 hrs by MTS reduction assay


J Med Chem 49: 4638-49 (2006)


Article DOI: 10.1021/jm060314i
BindingDB Entry DOI: 10.7270/Q21G0N3Z
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens (Human))
BDBM50191415
PNG
((2'Z,3'E)-7-bromoindirubin-3'-[O-(2-pyrrolidin-1-y...)
Show SMILES Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2\C1=N/OCC[NH+]1CCCC1
Show InChI InChI=1S/C22H21BrN4O2/c23-16-8-5-7-15-18(22(28)25-19(15)16)21-20(14-6-1-2-9-17(14)24-21)26-29-13-12-27-10-3-4-11-27/h1-2,5-9,25,28H,3-4,10-13H2/p+1/b26-20+
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n/an/a>3.00E+4n/an/an/an/an/an/a



CNRS

Curated by ChEMBL


Assay Description
Survival of mouse AhR +/+ 5L cells after 48 hrs by MTS reduction assay


J Med Chem 49: 4638-49 (2006)


Article DOI: 10.1021/jm060314i
BindingDB Entry DOI: 10.7270/Q21G0N3Z
More data for this
Ligand-Target Pair
Aryl Hydrocarbon Receptor (AhR)


(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 (AhR)


(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 (AhR)


(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 (AhR)


(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 (AhR)


(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 (AhR)


(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 (AhR)


(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 (AhR)


(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 (AhR)


(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


(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 (AhR)


(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 (AhR)


(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


(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
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
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
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
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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12n/an/an/an/an/an/an/an/a


TBA

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


Citation and Details
More data for this
Ligand-Target Pair
Aryl Hydrocarbon Receptor (AhR)


(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 (AhR)


(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 (AhR)


(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 (AhR)


(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 (AhR)


(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 (AhR)


(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 (AhR)


(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 (AhR)


(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 (AhR)


(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 (AhR)


(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 (AhR)


(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 (AhR)


(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 (AhR)


(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 (AhR)


(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


(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
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
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
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
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
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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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
More data for this
Ligand-Target Pair
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