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Compile Data Set for Download or QSAR

Found 232 hits of ec50 data for polymerid = 50000871   
Target
(Institution)
LigandTarget
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)
BDBM50408372
PNG
(CHEMBL137408)
Show SMILES Clc1cc2Oc3cc(Cl)c(Br)cc3Oc2cc1Br
Show InChI InChI=1S/C12H4Br2Cl2O2/c13-5-1-9-11(3-7(5)15)18-12-4-8(16)6(14)2-10(12)17-9/h1-4H
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n/an/an/an/a 0.447n/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Affinity on cytosolic Aromatic hydrocarbon receptor (Ah)


J Med Chem 40: 4360-71 (1998)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM50408356
PNG
(CHEMBL136453)
Show SMILES Brc1ccc2Oc3cc(Br)c(Br)cc3Oc2c1
Show InChI InChI=1S/C12H5Br3O2/c13-6-1-2-9-10(3-6)17-12-5-8(15)7(14)4-11(12)16-9/h1-5H
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n/an/an/an/a 1.17n/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Affinity on cytosolic Aromatic hydrocarbon receptor (Ah)


J Med Chem 40: 4360-71 (1998)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM50408320
PNG
(CHEMBL136430)
Show SMILES Clc1cc2Oc3cc(Br)c(Br)cc3Oc2cc1Cl
Show InChI InChI=1S/C12H4Br2Cl2O2/c13-5-1-9-10(2-6(5)14)18-12-4-8(16)7(15)3-11(12)17-9/h1-4H
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n/an/an/an/a 1.48n/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Affinity on cytosolic Aromatic hydrocarbon receptor (Ah)


J Med Chem 40: 4360-71 (1998)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM50408296
PNG
(CHEMBL341968)
Show SMILES Brc1cc2Oc3cc(Br)c(Br)cc3Oc2cc1Br
Show InChI InChI=1S/C12H4Br4O2/c13-5-1-9-10(2-6(5)14)18-12-4-8(16)7(15)3-11(12)17-9/h1-4H
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n/an/an/an/a 1.5n/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Affinity on cytosolic Aromatic hydrocarbon receptor (Ah)


J Med Chem 40: 4360-71 (1998)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM50408359
PNG
(CHEMBL137055)
Show SMILES Brc1cc(Br)c2Oc3cc(Br)c(Br)cc3Oc2c1
Show InChI InChI=1S/C12H4Br4O2/c13-5-1-8(16)12-11(2-5)17-9-3-6(14)7(15)4-10(9)18-12/h1-4H
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n/an/an/an/a 2n/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Affinity on cytosolic Aromatic hydrocarbon receptor (Ah)


J Med Chem 40: 4360-71 (1998)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM50137506
PNG
((B(a)P) | 3,4-BP | 3,4-Benzopyrene | 3,4-Benzpyren...)
Show SMILES c1ccc2c(c1)cc1ccc3cccc4ccc2c1c34
Show InChI InChI=1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H
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PubMed
n/an/an/an/a 5n/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Concentration of the compound to bind to human AhR-modied electrode


Bioorg Med Chem Lett 14: 137-41 (2003)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM50408303
PNG
(CHEMBL137665)
Show SMILES Brc1cc2Oc3cc(Br)c(Br)c(Br)c3Oc2cc1Br
Show InChI InChI=1S/C12H3Br5O2/c13-4-1-7-8(2-5(4)14)19-12-9(18-7)3-6(15)10(16)11(12)17/h1-3H
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n/an/an/an/a 6.61n/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Affinity on cytosolic Aromatic hydrocarbon receptor (Ah)


J Med Chem 40: 4360-71 (1998)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM23927
PNG
(2,3,7,8-Tetrachlorodibenzo-p-dioxin | 2,3,7,8-tetr...)
Show SMILES Clc1cc2Oc3cc(Cl)c(Cl)cc3Oc2cc1Cl
Show InChI InChI=1S/C12H4Cl4O2/c13-5-1-9-10(2-6(5)14)18-12-4-8(16)7(15)3-11(12)17-9/h1-4H
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n/an/an/an/a 10n/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Affinity on cytosolic Aromatic hydrocarbon receptor (Ah)


J Med Chem 40: 4360-71 (1998)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM50408353
PNG
(CHEMBL138223)
Show SMILES Clc1cc2Oc3cc(Cl)c(Br)cc3Oc2cc1Cl
Show InChI InChI=1S/C12H4BrCl3O2/c13-5-1-9-10(2-6(5)14)18-12-4-8(16)7(15)3-11(12)17-9/h1-4H
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n/an/an/an/a 11.5n/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Affinity on cytosolic Aromatic hydrocarbon receptor (Ah)


J Med Chem 40: 4360-71 (1998)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM50408369
PNG
(CHEMBL335558)
Show SMILES Clc1cc2oc3c(Cl)c(Cl)c(Cl)cc3c2cc1Cl
Show InChI InChI=1S/C12H3Cl5O/c13-6-1-4-5-2-8(15)10(16)11(17)12(5)18-9(4)3-7(6)14/h1-3H
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n/an/an/an/a 15.1n/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Affinity on cytosolic Aromatic hydrocarbon receptor (Ah)


J Med Chem 40: 4360-71 (1998)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM50408334
PNG
(CHEMBL135555)
Show SMILES Brc1ccc2Oc3cc(Br)ccc3Oc2c1
Show InChI InChI=1S/C12H6Br2O2/c13-7-1-3-9-11(5-7)16-10-4-2-8(14)6-12(10)15-9/h1-6H
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n/an/an/an/a 15.5n/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Affinity on cytosolic Aromatic hydrocarbon receptor (Ah)


J Med Chem 40: 4360-71 (1998)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM50408300
PNG
(CHEMBL422101)
Show SMILES Brc1cc2Oc3c(Br)cc(Br)c(Br)c3Oc2cc1Br
Show InChI InChI=1S/C12H3Br5O2/c13-4-2-8-9(3-5(4)14)19-12-10(17)6(15)1-7(16)11(12)18-8/h1-3H
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n/an/an/an/a 17.0n/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Affinity on cytosolic Aromatic hydrocarbon receptor (Ah)


J Med Chem 40: 4360-71 (1998)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75530
PNG
(MLS001200027 | N-(4-chlorophenyl)-4-methyl-2-(meth...)
Show SMILES CSc1ncc(C(=O)Nc2ccc(Cl)cc2)c(C)n1
Show InChI InChI=1S/C13H12ClN3OS/c1-8-11(7-15-13(16-8)19-2)12(18)17-10-5-3-9(14)4-6-10/h3-7H,1-2H3,(H,17,18)
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n/an/an/an/a 22.2n/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...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM50408293
PNG
(CHEMBL336463)
Show SMILES Clc1ccc2c(c1)oc1c(Cl)c(Cl)c(Cl)cc21
Show InChI InChI=1S/C12H4Cl4O/c13-5-1-2-6-7-4-8(14)10(15)11(16)12(7)17-9(6)3-5/h1-4H
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n/an/an/an/a 25.1n/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Affinity on cytosolic Aromatic hydrocarbon receptor (Ah)


J Med Chem 40: 4360-71 (1998)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM50408308
PNG
(CHEMBL136710)
Show SMILES Clc1cc2oc3cc(Cl)c(Cl)cc3c2cc1Cl
Show InChI InChI=1S/C12H4Cl4O/c13-7-1-5-6-2-8(14)10(16)4-12(6)17-11(5)3-9(7)15/h1-4H
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n/an/an/an/a 41.0n/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Affinity on cytosolic Aromatic hydrocarbon receptor (Ah)


J Med Chem 40: 4360-71 (1998)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM50408302
PNG
(CHEMBL343049)
Show SMILES Clc1cc2c(oc3c(Cl)c(Cl)c(Cl)cc23)c(Cl)c1Cl
Show InChI InChI=1S/C12H2Cl6O/c13-5-1-3-4-2-6(14)8(16)10(18)12(4)19-11(3)9(17)7(5)15/h1-2H
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n/an/an/an/a 46.8n/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Affinity on cytosolic Aromatic hydrocarbon receptor (Ah)


J Med Chem 40: 4360-71 (1998)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM50049061
PNG
(CHEMBL3319501)
Show SMILES Cn1cc(Cc2[nH]c3ccccc3c2C=O)c2ccccc12
Show InChI InChI=1S/C19H16N2O/c1-21-11-13(14-6-3-5-9-19(14)21)10-18-16(12-22)15-7-2-4-8-17(15)20-18/h2-9,11-12,20H,10H2,1H3
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n/an/an/an/a 55n/an/an/an/a



University of Wisconsin

Curated by ChEMBL


Assay Description
Activation of AhR in human HepG2 cells assessed as fluorescence after 24 hrs incubation by EROD assay


Bioorg Med Chem Lett 24: 4023-5 (2014)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM50408340
PNG
(CHEMBL136782)
Show SMILES Clc1ccc2c(oc3c(Cl)cc(Cl)c(Cl)c23)c1Cl
Show InChI InChI=1S/C12H3Cl5O/c13-5-2-1-4-8-9(16)6(14)3-7(15)12(8)18-11(4)10(5)17/h1-3H
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n/an/an/an/a 67.8n/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Affinity on cytosolic Aromatic hydrocarbon receptor (Ah)


J Med Chem 40: 4360-71 (1998)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75514
PNG
(2-N,5-N-bis(2-methoxyphenyl)pyridine-2,5-dicarboxa...)
Show SMILES COc1ccccc1NC(=O)c1ccc(nc1)C(=O)Nc1ccccc1OC
Show InChI InChI=1S/C21H19N3O4/c1-27-18-9-5-3-7-15(18)23-20(25)14-11-12-17(22-13-14)21(26)24-16-8-4-6-10-19(16)28-2/h3-13H,1-2H3,(H,23,25)(H,24,26)
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n/an/an/an/a 68.6n/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...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM50408314
PNG
(CHEMBL136335)
Show SMILES Clc1ccc2Oc3cc(Cl)c(Cl)cc3Oc2c1
Show InChI InChI=1S/C12H5Cl3O2/c13-6-1-2-9-10(3-6)17-12-5-8(15)7(14)4-11(12)16-9/h1-5H
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n/an/an/an/a 71.0n/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Affinity on cytosolic Aromatic hydrocarbon receptor (Ah)


J Med Chem 40: 4360-71 (1998)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM50408381
PNG
(CHEMBL137304)
Show SMILES Clc1cc2oc3cc(Cl)c(Cl)c(Cl)c3c2cc1Cl
Show InChI InChI=1S/C12H3Cl5O/c13-5-1-4-8(2-6(5)14)18-9-3-7(15)11(16)12(17)10(4)9/h1-3H
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n/an/an/an/a 74.1n/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Affinity on cytosolic Aromatic hydrocarbon receptor (Ah)


J Med Chem 40: 4360-71 (1998)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM50408363
PNG
(CHEMBL137220)
Show SMILES Clc1cc2Oc3cc(Cl)c(Cl)c(Cl)c3Oc2cc1Cl
Show InChI InChI=1S/C12H3Cl5O2/c13-4-1-7-8(2-5(4)14)19-12-9(18-7)3-6(15)10(16)11(12)17/h1-3H
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n/an/an/an/a 79.4n/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Affinity on cytosolic Aromatic hydrocarbon receptor (Ah)


J Med Chem 40: 4360-71 (1998)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM50049057
PNG
(CHEMBL3319505)
Show SMILES Cn1cc(Cc2cc3ccccc3[nH]2)c2ccccc12
Show InChI InChI=1S/C18H16N2/c1-20-12-14(16-7-3-5-9-18(16)20)11-15-10-13-6-2-4-8-17(13)19-15/h2-10,12,19H,11H2,1H3
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n/an/an/an/a 86n/an/an/an/a



University of Wisconsin

Curated by ChEMBL


Assay Description
Activation of AhR in human HepG2 cells assessed as fluorescence after 24 hrs incubation by EROD assay


Bioorg Med Chem Lett 24: 4023-5 (2014)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM50408322
PNG
(CHEMBL135026)
Show SMILES Brc1cc(Br)c2Oc3c(Br)cc(Br)cc3Oc2c1
Show InChI InChI=1S/C12H4Br4O2/c13-5-1-7(15)11-9(3-5)17-10-4-6(14)2-8(16)12(10)18-11/h1-4H
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n/an/an/an/a 92.9n/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Affinity on cytosolic Aromatic hydrocarbon receptor (Ah)


J Med Chem 40: 4360-71 (1998)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM50049064
PNG
(CHEMBL3319498)
Show SMILES Clc1ccc2[nH]cc(Cc3[nH]c4ccccc4c3C=O)c2c1
Show InChI InChI=1S/C18H13ClN2O/c19-12-5-6-16-14(8-12)11(9-20-16)7-18-15(10-22)13-3-1-2-4-17(13)21-18/h1-6,8-10,20-21H,7H2
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n/an/an/an/a 93n/an/an/an/a



University of Wisconsin

Curated by ChEMBL


Assay Description
Activation of AhR in human HepG2 cells assessed as fluorescence after 24 hrs incubation by EROD assay


Bioorg Med Chem Lett 24: 4023-5 (2014)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM50049058
PNG
(CHEMBL3319504)
Show SMILES COc1ccc2[nH]cc(Cc3cc4ccccc4[nH]3)c2c1
Show InChI InChI=1S/C18H16N2O/c1-21-15-6-7-18-16(10-15)13(11-19-18)9-14-8-12-4-2-3-5-17(12)20-14/h2-8,10-11,19-20H,9H2,1H3
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n/an/an/an/a 94n/an/an/an/a



University of Wisconsin

Curated by ChEMBL


Assay Description
Activation of AhR in human HepG2 cells assessed as fluorescence after 24 hrs incubation by EROD assay


Bioorg Med Chem Lett 24: 4023-5 (2014)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75458
PNG
((4-bromophenyl)-(2,5-dimethyl-[1,2,4]triazolo[1,5-...)
Show SMILES Cc1nc2nc(C)cc(Nc3ccc(Br)cc3)n2n1
Show InChI InChI=1S/C13H12BrN5/c1-8-7-12(17-11-5-3-10(14)4-6-11)19-13(15-8)16-9(2)18-19/h3-7,17H,1-2H3
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n/an/an/an/a 117n/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...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM50408333
PNG
(CHEMBL344919)
Show SMILES Clc1ccc2oc3c(Cl)c(Cl)c(Cl)c(Cl)c3c2c1
Show InChI InChI=1S/C12H3Cl5O/c13-4-1-2-6-5(3-4)7-8(14)9(15)10(16)11(17)12(7)18-6/h1-3H
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n/an/an/an/a 120n/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Affinity on cytosolic Aromatic hydrocarbon receptor (Ah)


J Med Chem 40: 4360-71 (1998)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM50214610
PNG
(3,3',4,4',5-Pentachlorobiphenyl | 3,3',4,4',5-pent...)
Show SMILES Clc1ccc(cc1Cl)-c1cc(Cl)c(Cl)c(Cl)c1
Show InChI InChI=1S/C12H5Cl5/c13-8-2-1-6(3-9(8)14)7-4-10(15)12(17)11(16)5-7/h1-5H
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n/an/an/an/a 130n/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Affinity on cytosolic Aromatic hydrocarbon receptor (Ah)


J Med Chem 40: 4360-71 (1998)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM50408315
PNG
(CHEMBL137849)
Show SMILES Clc1ccc2Oc3cc(Cl)c(Cl)cc3Oc2c1Cl
Show InChI InChI=1S/C12H4Cl4O2/c13-5-1-2-8-12(11(5)16)18-10-4-7(15)6(14)3-9(10)17-8/h1-4H
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n/an/an/an/a 160n/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Affinity on cytosolic Aromatic hydrocarbon receptor (Ah)


J Med Chem 40: 4360-71 (1998)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM7402
PNG
((2 Z,3 E)-6-Bromoindirubin-3 -acetoxime | 6-bromoi...)
Show SMILES CC(=O)ON=C1C(Nc2ccccc12)=C1C(=O)Nc2cc(Br)ccc12
Show InChI InChI=1S/C18H12BrN3O3/c1-9(23)25-22-16-12-4-2-3-5-13(12)20-17(16)15-11-7-6-10(19)8-14(11)21-18(15)24/h2-8,20H,1H3,(H,21,24)
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n/an/an/an/a 160n/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Agonist activity at human aryl hydrocarbon receptor


Proc Natl Acad Sci USA 104: 20523-8 (2007)

Checked by Author
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM75500
PNG
(MLS000856806 | N-(2-methoxyphenyl)-1-methyl-5-benz...)
Show SMILES COc1ccccc1NC(=O)c1ccc2n(C)nnc2c1
Show InChI InChI=1S/C15H14N4O2/c1-19-13-8-7-10(9-12(13)17-18-19)15(20)16-11-5-3-4-6-14(11)21-2/h3-9H,1-2H3,(H,16,20)
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n/an/an/an/a 195n/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...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM50310361
PNG
(3-(2',6'-Difluorophenyl)-1H-naphtho[2,1-b]pyran-1-...)
Show SMILES Fc1cccc(F)c1-c1cc(=O)c2c(ccc3ccccc23)o1
Show InChI InChI=1S/C19H10F2O2/c20-13-6-3-7-14(21)19(13)17-10-15(22)18-12-5-2-1-4-11(12)8-9-16(18)23-17/h1-10H
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n/an/an/an/a 200n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at AhR in human MCF-7 cells assessed as increase of CYP1A1-dependent 7-ethoxyresorufin O-deethylase activity


J Med Chem 54: 1539-54 (2011)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM50310361
PNG
(3-(2',6'-Difluorophenyl)-1H-naphtho[2,1-b]pyran-1-...)
Show SMILES Fc1cccc(F)c1-c1cc(=O)c2c(ccc3ccccc23)o1
Show InChI InChI=1S/C19H10F2O2/c20-13-6-3-7-14(21)19(13)17-10-15(22)18-12-5-2-1-4-11(12)8-9-16(18)23-17/h1-10H
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n/an/an/an/a 200n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at aryl hydrocarbon receptor in human MCF7 cells after 24 hrs CYP1A1-dependent EROD assay


Bioorg Med Chem 18: 1194-203 (2010)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM50408337
PNG
(CHEMBL137477)
Show SMILES Clc1ccc2oc3c(Cl)c(Cl)c(Cl)cc3c2c1
Show InChI InChI=1S/C12H4Cl4O/c13-5-1-2-9-6(3-5)7-4-8(14)10(15)11(16)12(7)17-9/h1-4H
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n/an/an/an/a 200n/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Affinity on cytosolic Aromatic hydrocarbon receptor (Ah)


J Med Chem 40: 4360-71 (1998)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM50408331
PNG
(CHEMBL342648)
Show SMILES Clc1cc2oc3c(Cl)c(Cl)cc(Cl)c3c2cc1Cl
Show InChI InChI=1S/C12H3Cl5O/c13-5-1-4-9(3-6(5)14)18-12-10(4)7(15)2-8(16)11(12)17/h1-3H
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n/an/an/an/a 200n/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Affinity on cytosolic Aromatic hydrocarbon receptor (Ah)


J Med Chem 40: 4360-71 (1998)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM50408329
PNG
(CHEMBL334374)
Show SMILES Clc1cc(Cl)c2c(c1)oc1c(Cl)c(Cl)c(Cl)cc21
Show InChI InChI=1S/C12H3Cl5O/c13-4-1-6(14)9-5-3-7(15)10(16)11(17)12(5)18-8(9)2-4/h1-3H
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n/an/an/an/a 200n/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Affinity on cytosolic Aromatic hydrocarbon receptor (Ah)


J Med Chem 40: 4360-71 (1998)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM50049060
PNG
(CHEMBL3319502)
Show SMILES C(c1cc2ccccc2[nH]1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C17H14N2/c1-3-7-16-12(5-1)9-14(19-16)10-13-11-18-17-8-4-2-6-15(13)17/h1-9,11,18-19H,10H2
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n/an/an/an/a 215n/an/an/an/a



University of Wisconsin

Curated by ChEMBL


Assay Description
Activation of AhR in human HepG2 cells assessed as fluorescence after 24 hrs incubation by EROD assay


Bioorg Med Chem Lett 24: 4023-5 (2014)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM50408374
PNG
(CHEMBL136729)
Show SMILES Clc1ccc2c(c1)oc1cc(Cl)c(Cl)c(Cl)c21
Show InChI InChI=1S/C12H4Cl4O/c13-5-1-2-6-8(3-5)17-9-4-7(14)11(15)12(16)10(6)9/h1-4H
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n/an/an/an/a 219n/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Affinity on cytosolic Aromatic hydrocarbon receptor (Ah)


J Med Chem 40: 4360-71 (1998)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM50408358
PNG
(CHEMBL136184)
Show SMILES Clc1cc2Oc3cccc(Cl)c3Oc2cc1Cl
Show InChI InChI=1S/C12H5Cl3O2/c13-6-2-1-3-9-12(6)17-11-5-8(15)7(14)4-10(11)16-9/h1-5H
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n/an/an/an/a 220n/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Affinity on cytosolic Aromatic hydrocarbon receptor (Ah)


J Med Chem 40: 4360-71 (1998)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM50408361
PNG
(CHEMBL136882)
Show SMILES Clc1cc(Cl)c2oc3cc(Cl)c(Cl)cc3c2c1
Show InChI InChI=1S/C12H4Cl4O/c13-5-1-7-6-3-8(14)9(15)4-11(6)17-12(7)10(16)2-5/h1-4H
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n/an/an/an/a 220n/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Affinity on cytosolic Aromatic hydrocarbon receptor (Ah)


J Med Chem 40: 4360-71 (1998)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM50049062
PNG
(CHEMBL3319500)
Show SMILES COc1ccc2[nH]cc(Cc3[nH]c4ccccc4c3C=O)c2c1
Show InChI InChI=1S/C19H16N2O2/c1-23-13-6-7-17-15(9-13)12(10-20-17)8-19-16(11-22)14-4-2-3-5-18(14)21-19/h2-7,9-11,20-21H,8H2,1H3
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n/an/an/an/a 230n/an/an/an/a



University of Wisconsin

Curated by ChEMBL


Assay Description
Activation of AhR in human HepG2 cells assessed as fluorescence after 24 hrs incubation by EROD assay


Bioorg Med Chem Lett 24: 4023-5 (2014)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM50408291
PNG
(CHEMBL342717)
Show SMILES Clc1cc2oc3c(Cl)c(Cl)c(Cl)c(Cl)c3c2cc1Cl
Show InChI InChI=1S/C12H2Cl6O/c13-4-1-3-6(2-5(4)14)19-12-7(3)8(15)9(16)10(17)11(12)18/h1-2H
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n/an/an/an/a 230n/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Affinity on cytosolic Aromatic hydrocarbon receptor (Ah)


J Med Chem 40: 4360-71 (1998)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM17152
PNG
(4-(5-{[(5Z)-2,4-dioxo-1,3-thiazolidin-5-ylidene]me...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=O)NC2=O)o1
Show InChI InChI=1S/C14H10N2O5S2/c15-23(19,20)10-4-1-8(2-5-10)11-6-3-9(21-11)7-12-13(17)16-14(18)22-12/h1-7H,(H2,15,19,20)(H,16,17,18)/b12-7-
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n/an/an/an/a 237n/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...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM50408332
PNG
(CHEMBL343494)
Show SMILES Clc1cc2oc3c(Cl)c(Cl)c(Cl)cc3c2c(Cl)c1Cl
Show InChI InChI=1S/C12H2Cl6O/c13-4-1-3-7-6(2-5(14)8(15)10(7)17)19-12(3)11(18)9(4)16/h1-2H
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n/an/an/an/a 270n/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Affinity on cytosolic Aromatic hydrocarbon receptor (Ah)


J Med Chem 40: 4360-71 (1998)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM50310362
PNG
(3-(2'-Methoxyphenyl)-1H-naphtho[2,1-b]pyran-1-one ...)
Show SMILES COc1ccccc1-c1cc(=O)c2c(ccc3ccccc23)o1
Show InChI InChI=1S/C20H14O3/c1-22-17-9-5-4-8-15(17)19-12-16(21)20-14-7-3-2-6-13(14)10-11-18(20)23-19/h2-12H,1H3
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n/an/an/an/a 270n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at AhR in human MCF-7 cells assessed as increase of CYP1A1-dependent 7-ethoxyresorufin O-deethylase activity


J Med Chem 54: 1539-54 (2011)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM50049065
PNG
(CHEMBL3319497)
Show SMILES O=Cc1c(Cc2c[nH]c3ccccc23)[nH]c2ccccc12
Show InChI InChI=1S/C18H14N2O/c21-11-15-14-6-2-4-8-17(14)20-18(15)9-12-10-19-16-7-3-1-5-13(12)16/h1-8,10-11,19-20H,9H2
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n/an/an/an/a 270n/an/an/an/a



University of Wisconsin

Curated by ChEMBL


Assay Description
Activation of AhR in human HepG2 cells assessed as fluorescence after 24 hrs incubation by EROD assay


Bioorg Med Chem Lett 24: 4023-5 (2014)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM50310362
PNG
(3-(2'-Methoxyphenyl)-1H-naphtho[2,1-b]pyran-1-one ...)
Show SMILES COc1ccccc1-c1cc(=O)c2c(ccc3ccccc23)o1
Show InChI InChI=1S/C20H14O3/c1-22-17-9-5-4-8-15(17)19-12-16(21)20-14-7-3-2-6-13(14)10-11-18(20)23-19/h2-12H,1H3
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n/an/an/an/a 270n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at aryl hydrocarbon receptor in human MCF7 cells after 24 hrs CYP1A1-dependent EROD assay


Bioorg Med Chem 18: 1194-203 (2010)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM50408371
PNG
(CHEMBL136116)
Show SMILES Clc1cc2Oc3c(Cl)c(Cl)c(Cl)c(Cl)c3Oc2cc1Cl
Show InChI InChI=1S/C12H2Cl6O2/c13-3-1-5-6(2-4(3)14)20-12-10(18)8(16)7(15)9(17)11(12)19-5/h1-2H
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n/an/an/an/a 280n/an/an/an/a



Harvard University

Curated by ChEMBL


Assay Description
Affinity on cytosolic Aromatic hydrocarbon receptor (Ah)


J Med Chem 40: 4360-71 (1998)

More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Homo sapiens)
BDBM51259
PNG
(1H-Benz[de]isoquinoline-1,3(2H)-dione, 5-amino-2-[...)
Show SMILES Nc1cc2C(=O)N(CCN3CCCC3)C(=O)c3cccc(c1)c23
Show InChI InChI=1S/C18H19N3O2/c19-13-10-12-4-3-5-14-16(12)15(11-13)18(23)21(17(14)22)9-8-20-6-1-2-7-20/h3-5,10-11H,1-2,6-9,19H2
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n/an/an/an/a 286n/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...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
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