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Compile Data Set for Download or QSAR

Found 10 hits of ec50 data for polymerid = 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
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
PDB

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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
PDB

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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))
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+
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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))
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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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))
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+
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))
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+
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