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Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with Target = 'Ah 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
Ah Receptor


(Mus musculus (Mouse))
BDBM92704
PNG
(Photoaffinity ligand, 1)
Show SMILES Clc1cc2Oc3cc(Cl)c(Cl)cc3Oc2c(c1)N=[N]#N
Show InChI InChI=1S/C12H4Cl3N3O2/c13-5-1-8(17-18-16)12-11(2-5)19-9-3-6(14)7(15)4-10(9)20-12/h1-4H
PDB

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n/an/an/a 0.440n/an/an/a7.50



University of Wisconsin



Assay Description
The equilibrium dissocation constants, KD values for the photoaffinity ligands were determined by a competitive binding assay.


J Biol Chem 261: 6352-65 (1986)

More data for this
Ligand-Target Pair
Ah Receptor


(Mus musculus (Mouse))
BDBM50015305
PNG
(CHEMBL3263120)
Show SMILES Clc1ccc(-c2nc(no2)-c2ccccc2)c(Cl)c1Cl
Show InChI InChI=1S/C14H7Cl3N2O/c15-10-7-6-9(11(16)12(10)17)14-18-13(19-20-14)8-4-2-1-3-5-8/h1-7H
PDB

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PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Agonist activity at AHR in FVB/N mouse primary mammary epithelial cells assessed as blockade of mammary branching morphogenesis after 144 hrs by micr...


Bioorg Med Chem Lett 24: 2473-6 (2014)

More data for this
Ligand-Target Pair
Ah Receptor


(Mus musculus (Mouse))
BDBM92706
PNG
(Photoaffinity ligand, 3)
Show SMILES Clc1cc2Oc3cc(Cl)c(cc3Oc2cc1Cl)N=[N]#N
Show InChI InChI=1S/C12H4Cl3N3O2/c13-5-1-9-10(2-6(5)14)20-12-4-8(17-18-16)7(15)3-11(12)19-9/h1-4H
PDB

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n/an/an/a 0.490n/an/an/a7.50



University of Wisconsin



Assay Description
The equilibrium dissocation constants, KD values for the photoaffinity ligands were determined by a competitive binding assay.


J Biol Chem 261: 6352-65 (1986)

More data for this
Ligand-Target Pair
Ah Receptor


(Mus musculus (Mouse))
BDBM92707
PNG
(Photoaffinity ligand, 4)
Show SMILES Brc1cc2Oc3cc(I)c(cc3Oc2cc1Br)N=[N]#N
Show InChI InChI=1S/C12H4Br2IN3O2/c13-5-1-9-10(2-6(5)14)20-12-4-8(17-18-16)7(15)3-11(12)19-9/h1-4H
PDB

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n/an/an/a 0.760n/an/an/a7.50



University of Wisconsin



Assay Description
The equilibrium dissocation constants, KD values for the photoaffinity ligands were determined by a competitive binding assay.


J Biol Chem 261: 6352-65 (1986)

More data for this
Ligand-Target Pair
Ah Receptor


(Mus musculus (Mouse))
BDBM92708
PNG
(Photoaffinity ligand, 5)
Show SMILES Clc1cc2Oc3cc(Cl)c(Cl)c(CNC(=O)c4cc(ccc4N(=O)=O)N=[N]#N)c3Oc2cc1Cl
Show InChI InChI=1S/C20H9Cl4N5O5/c21-11-4-15-16(5-12(11)22)34-19-10(18(24)13(23)6-17(19)33-15)7-26-20(30)9-3-8(27-28-25)1-2-14(9)29(31)32/h1-6H,7H2,(H,26,30)
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n/an/an/a 13n/an/an/a7.50



University of Wisconsin



Assay Description
The equilibrium dissocation constants, KD values for the photoaffinity ligands were determined by a competitive binding assay.


J Biol Chem 261: 6352-65 (1986)

More data for this
Ligand-Target Pair
Ah Receptor


(Mus musculus (Mouse))
BDBM92709
PNG
(Photoaffinity ligand, 6)
Show SMILES Clc1cc2Oc3cc(Cl)c(Cl)c(CNC(=O)c4ccc(cc4)N=[N]#N)c3Oc2cc1Cl
Show InChI InChI=1S/C20H10Cl4N4O3/c21-12-5-15-16(6-13(12)22)31-19-11(18(24)14(23)7-17(19)30-15)8-26-20(29)9-1-3-10(4-2-9)27-28-25/h1-7H,8H2,(H,26,29)
PDB

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n/an/an/a 8.10n/an/an/a7.50



University of Wisconsin



Assay Description
The equilibrium dissocation constants, KD values for the photoaffinity ligands were determined by a competitive binding assay.


J Biol Chem 261: 6352-65 (1986)

More data for this
Ligand-Target Pair
Ah Receptor


(Mus musculus (Mouse))
BDBM92710
PNG
(Photoaffinity ligand, 7)
Show SMILES Oc1cc(ccc1C(=O)NCc1c(Cl)c(Cl)cc2Oc3cc(Cl)c(Cl)cc3Oc12)N=[N]#N
Show InChI InChI=1S/C20H10Cl4N4O4/c21-11-4-15-16(5-12(11)22)32-19-10(18(24)13(23)6-17(19)31-15)7-26-20(30)9-2-1-8(27-28-25)3-14(9)29/h1-6,29H,7H2,(H,26,30)
PDB

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n/an/an/a 113n/an/an/a7.50



University of Wisconsin



Assay Description
The equilibrium dissocation constants, KD values for the photoaffinity ligands were determined by a competitive binding assay.


J Biol Chem 261: 6352-65 (1986)

More data for this
Ligand-Target Pair
Ah Receptor


(Mus musculus (Mouse))
BDBM92711
PNG
(Photoaffinity ligand, 8)
Show SMILES Clc1cc2Oc3cc(Cl)c(Cl)c(CNC(=O)CCCCCNc4ccc(cc4N(=O)=O)N=[N]#N)c3Oc2cc1Cl
Show InChI InChI=1S/C25H20Cl4N6O5/c26-15-9-20-21(10-16(15)27)40-25-14(24(29)17(28)11-22(25)39-20)12-32-23(36)4-2-1-3-7-31-18-6-5-13(33-34-30)8-19(18)35(37)38/h5-6,8-11,31H,1-4,7,12H2,(H,32,36)
PDB

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n/an/an/a 11n/an/an/a7.50



University of Wisconsin



Assay Description
The equilibrium dissocation constants, KD values for the photoaffinity ligands were determined by a competitive binding assay.


J Biol Chem 261: 6352-65 (1986)

More data for this
Ligand-Target Pair
Ah Receptor


(Mus musculus (Mouse))
BDBM50357322
PNG
(CHEMBL1916880)
Show SMILES CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Nc3cc(F)ccc3C)c3cncn3c2c1
Show InChI InChI=1S/C24H25FN6O/c1-16-7-8-17(25)12-20(16)28-24-22-14-26-15-31(22)21-13-18(9-10-19(21)27-24)30(4)23(32)6-5-11-29(2)3/h5-10,12-15H,11H2,1-4H3,(H,27,28)/b6-5+
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PubMed
n/an/an/an/a>1.00E+4n/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


Bioorg Med Chem Lett 21: 6258-63 (2011)

More data for this
Ligand-Target Pair
Ah Receptor


(Mus musculus (Mouse))
BDBM50357333
PNG
(CHEMBL1916891)
Show SMILES CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1F)nc(Nc1ccccc1C)c1cncn21
Show InChI InChI=1S/C24H25FN6O/c1-16-8-5-6-9-18(16)27-24-22-14-26-15-31(22)21-13-20(17(25)12-19(21)28-24)30(4)23(32)10-7-11-29(2)3/h5-10,12-15H,11H2,1-4H3,(H,27,28)/b10-7+
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n/an/an/an/a>1.00E+4n/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


Bioorg Med Chem Lett 21: 6258-63 (2011)

More data for this
Ligand-Target Pair
Ah Receptor


(Mus musculus (Mouse))
BDBM50357339
PNG
(CHEMBL1916897)
Show SMILES CN(C)C\C=C\C(=O)N(C)c1cc2c(cc1Cl)nc(Nc1cc(F)ccc1C)c1cncn21
Show InChI InChI=1S/C24H24ClFN6O/c1-15-7-8-16(26)10-18(15)28-24-22-13-27-14-32(22)21-12-20(17(25)11-19(21)29-24)31(4)23(33)6-5-9-30(2)3/h5-8,10-14H,9H2,1-4H3,(H,28,29)/b6-5+
PDB

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n/an/an/an/a>1.00E+4n/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


Bioorg Med Chem Lett 21: 6258-63 (2011)

More data for this
Ligand-Target Pair
Ah Receptor


(Mus musculus (Mouse))
BDBM50357344
PNG
(CHEMBL1916902)
Show SMILES CN(C)C\C=C\C(=O)N(C)c1ccc2nc(Oc3ccc(F)cc3C)c3cncn3c2c1
Show InChI InChI=1S/C24H24FN5O2/c1-16-12-17(25)7-10-22(16)32-24-21-14-26-15-30(21)20-13-18(8-9-19(20)27-24)29(4)23(31)6-5-11-28(2)3/h5-10,12-15H,11H2,1-4H3/b6-5+
PDB

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PubMed
n/an/an/an/a>1.00E+4n/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


Bioorg Med Chem Lett 21: 6258-63 (2011)

More data for this
Ligand-Target Pair
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
PDB

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PubMed
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


Bioorg Med Chem Lett 21: 6258-63 (2011)

More data for this
Ligand-Target Pair
Ah Receptor


(Mus musculus (Mouse))
BDBM50015301
PNG
(CHEMBL3263111)
Show SMILES Clc1ccc(-c2nc(no2)-c2ccccc2)c(Cl)c1
Show InChI InChI=1S/C14H8Cl2N2O/c15-10-6-7-11(12(16)8-10)14-17-13(18-19-14)9-4-2-1-3-5-9/h1-8H
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PubMed
n/an/an/an/a 1.20E+3n/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Agonist activity at AHR in FVB/N mouse primary mammary epithelial cells assessed as blockade of mammary branching morphogenesis after 144 hrs by micr...


Bioorg Med Chem Lett 24: 2473-6 (2014)

More data for this
Ligand-Target Pair
Ah Receptor


(Mus musculus (Mouse))
BDBM50015302
PNG
(CHEMBL3263112)
Show SMILES Nc1cc(Cl)ccc1-c1nc(no1)-c1ccccc1
Show InChI InChI=1S/C14H10ClN3O/c15-10-6-7-11(12(16)8-10)14-17-13(18-19-14)9-4-2-1-3-5-9/h1-8H,16H2
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PubMed
n/an/an/an/a 1.40E+3n/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Agonist activity at AHR in FVB/N mouse primary mammary epithelial cells assessed as blockade of mammary branching morphogenesis after 144 hrs by micr...


Bioorg Med Chem Lett 24: 2473-6 (2014)

More data for this
Ligand-Target Pair
Ah Receptor


(Mus musculus (Mouse))
BDBM50015303
PNG
(CHEMBL3263118)
Show SMILES [O-][N+](=O)c1cc(F)ccc1-c1nc(no1)-c1ccccc1
Show InChI InChI=1S/C14H8FN3O3/c15-10-6-7-11(12(8-10)18(19)20)14-16-13(17-21-14)9-4-2-1-3-5-9/h1-8H
PDB

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n/an/an/an/a 2.20E+3n/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Agonist activity at AHR in FVB/N mouse primary mammary epithelial cells assessed as blockade of mammary branching morphogenesis after 144 hrs by micr...


Bioorg Med Chem Lett 24: 2473-6 (2014)

More data for this
Ligand-Target Pair
Ah Receptor


(Mus musculus (Mouse))
BDBM50015304
PNG
(CHEMBL3263119)
Show SMILES Nc1cc(ccc1-c1nc(no1)-c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C15H10F3N3O/c16-15(17,18)10-6-7-11(12(19)8-10)14-20-13(21-22-14)9-4-2-1-3-5-9/h1-8H,19H2
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n/an/an/an/a 3.20E+3n/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Agonist activity at AHR in FVB/N mouse primary mammary epithelial cells assessed as blockade of mammary branching morphogenesis after 144 hrs by micr...


Bioorg Med Chem Lett 24: 2473-6 (2014)

More data for this
Ligand-Target Pair
Ah Receptor


(Mus musculus (Mouse))
BDBM92705
PNG
(Photoaffinity ligand, 2)
Show SMILES Clc1cc2Oc3cc(Cl)c(I)c(N=[N]#N)c3Oc2cc1Cl
Show InChI InChI=1S/C12H3Cl3IN3O2/c13-4-1-7-8(2-5(4)14)21-12-9(20-7)3-6(15)10(16)11(12)18-19-17/h1-3H
PDB

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n/an/an/a 2.10n/an/an/a7.50



University of Wisconsin



Assay Description
The equilibrium dissocation constants, KD values for the photoaffinity ligands were determined by a competitive binding assay.


J Biol Chem 261: 6352-65 (1986)

More data for this
Ligand-Target Pair