Compile Data Set for Download or QSAR

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

Target/Host (Institution)	Ligand	Target/Host 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	pH	Temp °C
Ah Receptor (Mus musculus (Mouse))	BDBM92704 (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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	0.440	n/a	n/a	n/a	7.5	0
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) BindingDB Entry DOI: 10.7270/Q2X928X8
					More data for this Ligand-Target Pair
Ah Receptor (Mus musculus (Mouse))	BDBM23927 (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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	Purchase CHEBI KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0300	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmcl.2011.09.008 BindingDB Entry DOI: 10.7270/Q21836XD
					More data for this Ligand-Target Pair
Ah Receptor (Mus musculus (Mouse))	BDBM92706 (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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	0.490	n/a	n/a	n/a	7.5	0
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) BindingDB Entry DOI: 10.7270/Q2X928X8
					More data for this Ligand-Target Pair
Ah Receptor (Mus musculus (Mouse))	BDBM92707 (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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	0.760	n/a	n/a	n/a	7.5	0
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) BindingDB Entry DOI: 10.7270/Q2X928X8
					More data for this Ligand-Target Pair
Ah Receptor (Mus musculus (Mouse))	BDBM92708 (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)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	13	n/a	n/a	n/a	7.5	0
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) BindingDB Entry DOI: 10.7270/Q2X928X8
					More data for this Ligand-Target Pair
Ah Receptor (Mus musculus (Mouse))	BDBM92709 (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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	8.10	n/a	n/a	n/a	7.5	0
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) BindingDB Entry DOI: 10.7270/Q2X928X8
					More data for this Ligand-Target Pair
Ah Receptor (Mus musculus (Mouse))	BDBM92710 (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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	113	n/a	n/a	n/a	7.5	0
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) BindingDB Entry DOI: 10.7270/Q2X928X8
					More data for this Ligand-Target Pair
Ah Receptor (Mus musculus (Mouse))	BDBM92711 (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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	11	n/a	n/a	n/a	7.5	0
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) BindingDB Entry DOI: 10.7270/Q2X928X8
					More data for this Ligand-Target Pair
Ah Receptor (Mus musculus (Mouse))	BDBM50015301 (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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmcl.2014.04.013 BindingDB Entry DOI: 10.7270/Q2C24Z0T
					More data for this Ligand-Target Pair
Ah Receptor (Mus musculus (Mouse))	BDBM50015302 (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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmcl.2014.04.013 BindingDB Entry DOI: 10.7270/Q2C24Z0T
					More data for this Ligand-Target Pair
Ah Receptor (Mus musculus (Mouse))	BDBM50015303 (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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmcl.2014.04.013 BindingDB Entry DOI: 10.7270/Q2C24Z0T
					More data for this Ligand-Target Pair
Ah Receptor (Mus musculus (Mouse))	BDBM50015304 (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	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmcl.2014.04.013 BindingDB Entry DOI: 10.7270/Q2C24Z0T
					More data for this Ligand-Target Pair
Ah Receptor (Mus musculus (Mouse))	BDBM50015305 (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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmcl.2014.04.013 BindingDB Entry DOI: 10.7270/Q2C24Z0T
					More data for this Ligand-Target Pair
Ah Receptor (Mus musculus (Mouse))	BDBM50357322 (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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmcl.2011.09.008 BindingDB Entry DOI: 10.7270/Q21836XD
					More data for this Ligand-Target Pair
Ah Receptor (Mus musculus (Mouse))	BDBM50357333 (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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmcl.2011.09.008 BindingDB Entry DOI: 10.7270/Q21836XD
					More data for this Ligand-Target Pair
Ah Receptor (Mus musculus (Mouse))	BDBM50357339 (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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmcl.2011.09.008 BindingDB Entry DOI: 10.7270/Q21836XD
					More data for this Ligand-Target Pair
Ah Receptor (Mus musculus (Mouse))	BDBM50357344 (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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmcl.2011.09.008 BindingDB Entry DOI: 10.7270/Q21836XD
					More data for this Ligand-Target Pair
Ah Receptor (Mus musculus (Mouse))	BDBM92705 (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 KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	2.10	n/a	n/a	n/a	7.5	0
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) BindingDB Entry DOI: 10.7270/Q2X928X8
					More data for this Ligand-Target Pair