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Compile Data Set for Download or QSAR

Found 238 hits of ec50 data for polymerid = 50000871,5269   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Ah Receptor


(Mus musculus (Mouse))
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 0.0300n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at Ah receptor in genetically engineered mouse cells expressing firefly luciferase gene by CALUX transactivational assay


Citation and Details
More data for this
Ligand-Target Pair
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)


Citation and Details
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)


Citation and Details
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)


Citation and Details
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)


Citation and Details
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)


Citation and Details
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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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)


Citation and Details
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)


Citation and Details
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)


Citation and Details
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)


Citation and Details
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)


Citation and Details
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)


Citation and Details
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)


Citation and Details
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)


Citation and Details
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)


Citation and Details
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


Citation and Details
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)


Citation and Details
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)


Citation and Details
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)


Citation and Details
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)


Citation and Details
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


Citation and Details
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)


Citation and Details
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


Citation and Details
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


Citation and Details
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)


Citation and Details
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)


Citation and Details
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)


Citation and Details
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


Citation and Details
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)
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)


Citation and Details
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


Citation and Details
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)


Citation and Details
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


Citation and Details
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)


Citation and Details
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


Citation and Details
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)


Citation and Details
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)


Citation and Details
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)


Citation and Details
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


Citation and Details
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)


Citation and Details
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)


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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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Harvard University

Curated by ChEMBL


Assay Description
Affinity on cytosolic Aromatic hydrocarbon receptor (Ah)


Citation and Details
More data for this
Ligand-Target Pair
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