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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


Citation and Details
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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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...


Citation and Details
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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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...


Citation and Details
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
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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...


Citation and Details
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...


Citation and Details
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+
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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


Citation and Details
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


Citation and Details
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...


Citation and Details
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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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


Citation and Details
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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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


Citation and Details
More data for this
Ligand-Target Pair