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Compile Data Set for Download or QSAR

Found 287 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 (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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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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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)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
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



C.N.R.S.

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)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
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



C.N.R.S.

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)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
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



C.N.R.S.

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)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
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



C.N.R.S.

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)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
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



C.N.R.S.

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)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
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



C.N.R.S.

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)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
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



C.N.R.S.

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)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
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



C.N.R.S.

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)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
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



C.N.R.S.

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)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75445
PNG
(3-(5-o-Tolyl-[1,2,4]oxadiazol-3-yl)-pyridine | 5-(...)
Show SMILES Cc1ccccc1-c1nc(no1)-c1cccnc1
Show InChI InChI=1S/C14H11N3O/c1-10-5-2-3-7-12(10)14-16-13(17-18-14)11-6-4-8-15-9-11/h2-9H,1H3
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n/an/an/an/a 1.74E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


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


(Homo sapiens)
BDBM71633
PNG
((3-Amino-8-methyl-thieno[2,3-b]quinolin-2-yl)-morp...)
Show SMILES Cc1cccc2cc3c(N)c(sc3nc12)C(=O)N1CCOCC1
Show InChI InChI=1S/C17H17N3O2S/c1-10-3-2-4-11-9-12-13(18)15(23-16(12)19-14(10)11)17(21)20-5-7-22-8-6-20/h2-4,9H,5-8,18H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


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


(Homo sapiens)
BDBM75446
PNG
(2-Methoxy-N-(5-thiophen-2-yl-[1,3,4]thiadiazol-2-y...)
Show SMILES COCC(=O)Nc1nnc(s1)-c1cccs1
Show InChI InChI=1S/C9H9N3O2S2/c1-14-5-7(13)10-9-12-11-8(16-9)6-3-2-4-15-6/h2-4H,5H2,1H3,(H,10,12,13)
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n/an/an/an/a 6.26E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


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


(Homo sapiens)
BDBM75447
PNG
(MLS000031358 | N-(2-ethoxyphenyl)-6-quinoxalinecar...)
Show SMILES CCOc1ccccc1NC(=O)c1ccc2nccnc2c1
Show InChI InChI=1S/C17H15N3O2/c1-2-22-16-6-4-3-5-14(16)20-17(21)12-7-8-13-15(11-12)19-10-9-18-13/h3-11H,2H2,1H3,(H,20,21)
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n/an/an/an/a 2.21E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


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


(Homo sapiens)
BDBM75448
PNG
(3-oxidanidyl-8-phenyl-4,5-dihydro-[1,2,5]oxadiazol...)
Show SMILES [O-]n1[o+]nc-2c1CCc1nnc(cc-21)-c1ccccc1
Show InChI InChI=1S/C14H10N4O2/c19-18-13-7-6-11-10(14(13)17-20-18)8-12(16-15-11)9-4-2-1-3-5-9/h1-5,8H,6-7H2
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n/an/an/an/a 2.83E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


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


(Homo sapiens)
BDBM75449
PNG
(MLS000041272 | N-(1,7-dimethyl-3-pyrazolo[3,4-b]qu...)
Show SMILES CCCC(=O)Nc1nn(C)c2nc3cc(C)ccc3cc12
Show InChI InChI=1S/C16H18N4O/c1-4-5-14(21)18-15-12-9-11-7-6-10(2)8-13(11)17-16(12)20(3)19-15/h6-9H,4-5H2,1-3H3,(H,18,19,21)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


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


(Homo sapiens)
BDBM39542
PNG
(MLS000041972 | N-[5-(2-methoxyphenyl)-1,3,4-thiadi...)
Show SMILES COc1ccccc1-c1nnc(NC(C)=O)s1
Show InChI InChI=1S/C11H11N3O2S/c1-7(15)12-11-14-13-10(17-11)8-5-3-4-6-9(8)16-2/h3-6H,1-2H3,(H,12,14,15)
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n/an/an/an/a 1.10E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


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


(Homo sapiens)
BDBM75450
PNG
(MLS000041275 | N-(1,7-dimethyl-3-pyrazolo[3,4-b]qu...)
Show SMILES CC(C)CC(=O)Nc1nn(C)c2nc3cc(C)ccc3cc12
Show InChI InChI=1S/C17H20N4O/c1-10(2)7-15(22)19-16-13-9-12-6-5-11(3)8-14(12)18-17(13)21(4)20-16/h5-6,8-10H,7H2,1-4H3,(H,19,20,22)
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The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


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More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75451
PNG
(MLS000041173 | N-[5-(2-ethoxyethyl)-1,3,4-thiadiaz...)
Show SMILES CCOCCc1nnc(NC(=O)c2ccc(OC)c(OC)c2)s1
Show InChI InChI=1S/C15H19N3O4S/c1-4-22-8-7-13-17-18-15(23-13)16-14(19)10-5-6-11(20-2)12(9-10)21-3/h5-6,9H,4,7-8H2,1-3H3,(H,16,18,19)
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n/an/an/an/a 6.13E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


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Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM48124
PNG
((4,8-dimethylquinazolin-2-yl)-[3-(3-morpholinoprop...)
Show SMILES Cc1cccc2c(C)nc(NC3=NCN(CCCN4CCOCC4)CN3)nc12
Show InChI InChI=1S/C20H29N7O/c1-15-5-3-6-17-16(2)23-20(24-18(15)17)25-19-21-13-27(14-22-19)8-4-7-26-9-11-28-12-10-26/h3,5-6H,4,7-14H2,1-2H3,(H2,21,22,23,24,25)
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n/an/an/an/a 1.21E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


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


(Homo sapiens)
BDBM38363
PNG
((6Z)-4-ethyl-3-hydroxy-6-[1-(hydroxyamino)-2-(2-qu...)
Show SMILES CCc1cc(C(Cc2ccc3ccccc3n2)N=O)c(O)cc1O
Show InChI InChI=1S/C19H18N2O3/c1-2-12-9-15(19(23)11-18(12)22)17(21-24)10-14-8-7-13-5-3-4-6-16(13)20-14/h3-9,11,17,22-23H,2,10H2,1H3
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n/an/an/an/a>3.40E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


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


(Homo sapiens)
BDBM68469
PNG
(MLS000054003 | N-(5-chloranylpyridin-2-yl)-2-[(4-m...)
Show SMILES Cc1csc(SCC(=O)Nc2ccc(Cl)cn2)n1
Show InChI InChI=1S/C11H10ClN3OS2/c1-7-5-17-11(14-7)18-6-10(16)15-9-3-2-8(12)4-13-9/h2-5H,6H2,1H3,(H,13,15,16)
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n/an/an/an/a 1.54E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


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


(Homo sapiens)
BDBM75452
PNG
(MLS000092095 | N-(1,2-oxazol-3-yl)-5-oxidanylidene...)
Show SMILES O=C(Nc1ccon1)c1cnc2sccn2c1=O
Show InChI InChI=1S/C10H6N4O3S/c15-8(12-7-1-3-17-13-7)6-5-11-10-14(9(6)16)2-4-18-10/h1-5H,(H,12,13,15)
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n/an/an/an/a 1.85E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


Citation and Details
More data for this
Ligand-Target Pair
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