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Compile Data Set for Download or QSAR

Found 262 hits Enz. Inhib. hit(s) with Target = 'Aryl hydrocarbon receptor'   
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


(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


(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)
BDBM50408289
PNG
(CHEMBL139587)
Show SMILES Clc1cccc2c1oc1ccccc21
Show InChI InChI=1S/C12H7ClO/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h1-7H
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n/an/an/an/a 1.00E+6n/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)
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)
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)
BDBM50408294
PNG
(CHEMBL336698)
Show SMILES Clc1cc2Oc3c(Cl)cc(Cl)c(Cl)c3Oc2cc1Cl
Show InChI InChI=1S/C12H3Cl5O2/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 1.10E+3n/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)
BDBM50408295
PNG
(CHEMBL136461)
Show SMILES Clc1c(Cl)c(Cl)c2Oc3c(Cl)c(Cl)c(Cl)c(Cl)c3Oc2c1Cl
Show InChI InChI=1S/C12Cl8O2/c13-1-2(14)6(18)10-9(5(1)17)21-11-7(19)3(15)4(16)8(20)12(11)22-10
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n/an/an/an/a 1.00E+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)
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)
BDBM50408297
PNG
(CHEMBL140187)
Show SMILES Clc1ccc2oc3ccc(Cl)cc3c2c1
Show InChI InChI=1S/C12H6Cl2O/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6H
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n/an/an/an/a 2.57E+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)
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)
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)
BDBM50408307
PNG
(CHEMBL136345)
Show SMILES Clc1cc2oc3c(Cl)cc(Cl)c(Cl)c3c2cc1Cl
Show InChI InChI=1S/C12H3Cl5O/c13-5-1-4-9(3-6(5)14)18-12-8(16)2-7(15)11(17)10(4)12/h1-3H
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n/an/an/an/a 1.30E+3n/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)
BDBM50408309
PNG
(CHEMBL136844)
Show SMILES Clc1ccc2oc3cc(Cl)c(Cl)cc3c2c1
Show InChI InChI=1S/C12H5Cl3O/c13-6-1-2-11-7(3-6)8-4-9(14)10(15)5-12(8)16-11/h1-5H
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n/an/an/an/a 1.00E+3n/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)
BDBM50408311
PNG
(CHEMBL134370)
Show SMILES Clc1cc(Cl)c2c(c1)oc1cc(Cl)c(Cl)c(Cl)c21
Show InChI InChI=1S/C12H3Cl5O/c13-4-1-5(14)9-7(2-4)18-8-3-6(15)11(16)12(17)10(8)9/h1-3H
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n/an/an/an/a 400n/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)
BDBM50408312
PNG
(CHEMBL139585)
Show SMILES Clc1cc2oc3ccccc3c2cc1Cl
Show InChI InChI=1S/C12H6Cl2O/c13-9-5-8-7-3-1-2-4-11(7)15-12(8)6-10(9)14/h1-6H
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n/an/an/an/a 4.72E+3n/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)
BDBM50408313
PNG
(CHEMBL337817)
Show SMILES Clc1ccc2oc3cc(Cl)cc(Cl)c3c2c1
Show InChI InChI=1S/C12H5Cl3O/c13-6-1-2-10-8(3-6)12-9(15)4-7(14)5-11(12)16-10/h1-5H
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n/an/an/an/a 8.51E+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)
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)
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)
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)
BDBM50408316
PNG
(CHEMBL136222)
Show SMILES Clc1cc(Cl)c2Oc3cc(Cl)c(Cl)cc3Oc2c1
Show InChI InChI=1S/C12H4Cl4O2/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 794n/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)
BDBM50408317
PNG
(CHEMBL337805)
Show SMILES Clc1ccc2Oc3c(Cl)c(Cl)c(Cl)c(Cl)c3Oc2c1
Show InChI InChI=1S/C12H3Cl5O2/c13-4-1-2-5-6(3-4)19-12-10(17)8(15)7(14)9(16)11(12)18-5/h1-3H
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n/an/an/an/a 6.46E+3n/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)
BDBM50408318
PNG
(CHEMBL139202)
Show SMILES Clc1cc(Cl)c(c(Cl)c1)-c1cc(Cl)c(Cl)c(Cl)c1
Show InChI InChI=1S/C12H4Cl6/c13-6-3-7(14)11(8(15)4-6)5-1-9(16)12(18)10(17)2-5/h1-4H
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n/an/an/an/a 9.91E+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)
BDBM50408319
PNG
(CHEMBL343583)
Show SMILES Clc1c(Cl)c(Cl)c2Oc3ccccc3Oc2c1Cl
Show InChI InChI=1S/C12H4Cl4O2/c13-7-8(14)10(16)12-11(9(7)15)17-5-3-1-2-4-6(5)18-12/h1-4H
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n/an/an/an/a 1.30E+3n/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)
BDBM50408321
PNG
(CHEMBL342045)
Show SMILES Clc1ccc2Oc3ccc(Cl)cc3Oc2c1
Show InChI InChI=1S/C12H6Cl2O2/c13-7-1-3-9-11(5-7)16-12-6-8(14)2-4-10(12)15-9/h1-6H
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n/an/an/an/a 3.20E+3n/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)
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)
BDBM50408324
PNG
(CHEMBL14328)
Show SMILES Clc1cc(c(Cl)c(Cl)c1Cl)-c1ccccc1
Show InChI InChI=1S/C12H6Cl4/c13-9-6-8(7-4-2-1-3-5-7)10(14)12(16)11(9)15/h1-6H
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n/an/an/an/a 1.40E+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)
BDBM50408327
PNG
(CHEMBL137620)
Show SMILES Clc1cccc2Oc3ccccc3Oc12
Show InChI InChI=1S/C12H7ClO2/c13-8-4-3-7-11-12(8)15-10-6-2-1-5-9(10)14-11/h1-7H
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n/an/an/an/a 1.00E+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)
BDBM50408328
PNG
(CHEMBL344922)
Show SMILES Clc1ccc2oc3ccccc3c2c1
Show InChI InChI=1S/C12H7ClO/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7H
PDB

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n/an/an/an/a 2.80E+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)
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
PDB

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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)
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
PDB

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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)
BDBM50408330
PNG
(CHEMBL341816)
Show SMILES Clc1ccc(cc1Cl)-c1ccc(Cl)c(Cl)c1Cl
Show InChI InChI=1S/C12H5Cl5/c13-8-3-1-6(5-10(8)15)7-2-4-9(14)12(17)11(7)16/h1-5H
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n/an/an/an/a 4.27E+3n/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)
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
PDB

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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)
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
PDB

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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)
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
PDB

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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)
BDBM50408335
PNG
(CHEMBL136676)
Show SMILES Clc1cc(Cl)c2Oc3ccccc3Oc2c1Cl
Show InChI InChI=1S/C12H5Cl3O2/c13-6-5-7(14)11-12(10(6)15)17-9-4-2-1-3-8(9)16-11/h1-5H
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n/an/an/an/a 1.30E+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)
BDBM50408336
PNG
(CHEMBL136570)
Show SMILES Clc1ccc2oc3c(Cl)cc(Cl)c(Cl)c3c2c1
Show InChI InChI=1S/C12H4Cl4O/c13-5-1-2-9-6(3-5)10-11(16)7(14)4-8(15)12(10)17-9/h1-4H
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n/an/an/an/a 1.00E+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)
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
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