Compile Data Set for Download or QSAR

Found 339 hits of ec50 data for polymerid = 50000871   

Target/Host (Institution)	Ligand	Target/Host 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	pH	Temp °C
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50603549 (CHEMBL5203882) Show SMILES Brc1ccc(cc1)-c1nc2ccc(Br)cn2n1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.0300	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114122 BindingDB Entry DOI: 10.7270/Q2BP06WR
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50541261 (CHEMBL4646273) Show SMILES Cn1c2ccccc2c2cc3[nH]c4ccccc4c3c(C=O)c12 Show InChI InChI=1S/C20H14N2O/c1-22-18-9-5-3-6-12(18)14-10-17-19(15(11-23)20(14)22)13-7-2-4-8-16(13)21-17/h2-11,21H,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.260	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Agonist activity at AhR in human HepG2 cells assessed as induction of CYP1A1 expression after 24 hrs by ethoxyresorufin-O-deethylase assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126959 BindingDB Entry DOI: 10.7270/Q2WQ07B9
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50603538 (CHEMBL5190861) Show SMILES [O-][n+]1c(nc2ccc(Br)cn12)-c1ccc(Br)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.270	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114122 BindingDB Entry DOI: 10.7270/Q2BP06WR
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50603539 (CHEMBL5021347) Show SMILES [O-][n+]1c(nc2ccc(Cl)cn12)-c1ccc(Br)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.340	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114122 BindingDB Entry DOI: 10.7270/Q2BP06WR
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50603551 (CHEMBL5194336) Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2ccc(Br)cn2n1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.440	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114122 BindingDB Entry DOI: 10.7270/Q2BP06WR
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50408372 (CHEMBL137408) Show SMILES Clc1cc2Oc3cc(Cl)c(Br)cc3Oc2cc1Br Show InChI InChI=1S/C12H4Br2Cl2O2/c13-5-1-9-11(3-7(5)15)18-12-4-8(16)6(14)2-10(12)17-9/h1-4H	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.447	n/a	n/a	n/a	n/a
Harvard University Curated by ChEMBL					Assay Description Affinity on cytosolic Aromatic hydrocarbon receptor (Ah)				J Med Chem 40: 4360-71 (1998) Article DOI: 10.1021/jm970488n BindingDB Entry DOI: 10.7270/Q2BZ6784
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50602335 (CHEMBL5186309) Show SMILES [H][C@@]12Cc3cc(Cl)c(Br)cc3C(=O)N1CCc1ccccc21 |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.700	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00956 BindingDB Entry DOI: 10.7270/Q2HM5DH2
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50603554 (CHEMBL5181725) Show SMILES Clc1ccc(cc1)-c1nc2ccc(Br)cn2n1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.830	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114122 BindingDB Entry DOI: 10.7270/Q2BP06WR
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50408356 (CHEMBL136453) Show SMILES Brc1ccc2Oc3cc(Br)c(Br)cc3Oc2c1 Show InChI InChI=1S/C12H5Br3O2/c13-6-1-2-9-10(3-6)17-12-5-8(15)7(14)4-11(12)16-9/h1-5H	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.17	n/a	n/a	n/a	n/a
Harvard University Curated by ChEMBL					Assay Description Affinity on cytosolic Aromatic hydrocarbon receptor (Ah)				J Med Chem 40: 4360-71 (1998) Article DOI: 10.1021/jm970488n BindingDB Entry DOI: 10.7270/Q2BZ6784
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50408320 (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	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.48	n/a	n/a	n/a	n/a
Harvard University Curated by ChEMBL					Assay Description Affinity on cytosolic Aromatic hydrocarbon receptor (Ah)				J Med Chem 40: 4360-71 (1998) Article DOI: 10.1021/jm970488n BindingDB Entry DOI: 10.7270/Q2BZ6784
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50408296 (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	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.5	n/a	n/a	n/a	n/a
Harvard University Curated by ChEMBL					Assay Description Affinity on cytosolic Aromatic hydrocarbon receptor (Ah)				J Med Chem 40: 4360-71 (1998) Article DOI: 10.1021/jm970488n BindingDB Entry DOI: 10.7270/Q2BZ6784
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50605060 (CHEMBL5198290) Show SMILES CNC(=O)c1csc(n1)C(=O)c1c[nH]c2ccccc12 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.60	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00208 BindingDB Entry DOI: 10.7270/Q27D3076
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50563366 (CHEMBL4764225) Show SMILES O=C(c1c[nH]c2ccccc12)c1cccc(n1)C#N Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at AHR in human HepG2 cells incubated for 4.5 hrs by Luciferase reporter assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113231 BindingDB Entry DOI: 10.7270/Q2NC64XB
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50563365 (CHEMBL4750416) Show SMILES FC(F)(F)c1cccc(n1)C(=O)c1c[nH]c2ccccc12 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at AHR in human HepG2 cells incubated for 4.5 hrs by Luciferase reporter assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113231 BindingDB Entry DOI: 10.7270/Q2NC64XB
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50541262 (6-Formylindolo[3,2-B]Carbazole | CHEMBL472031) Show SMILES O=Cc1c2[nH]c3ccccc3c2cc2[nH]c3ccccc3c12 Show InChI InChI=1S/C19H12N2O/c22-10-14-18-12-6-2-4-8-16(12)20-17(18)9-13-11-5-1-3-7-15(11)21-19(13)14/h1-10,20-21H	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Agonist activity at AhR in human HepG2 cells assessed as induction of CYP1A1 expression after 24 hrs by ethoxyresorufin-O-deethylase assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.126959 BindingDB Entry DOI: 10.7270/Q2WQ07B9
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50408359 (CHEMBL137055) Show SMILES Brc1cc(Br)c2Oc3cc(Br)c(Br)cc3Oc2c1 Show InChI InChI=1S/C12H4Br4O2/c13-5-1-8(16)12-11(2-5)17-9-3-6(14)7(15)4-10(9)18-12/h1-4H	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
Harvard University Curated by ChEMBL					Assay Description Affinity on cytosolic Aromatic hydrocarbon receptor (Ah)				J Med Chem 40: 4360-71 (1998) Article DOI: 10.1021/jm970488n BindingDB Entry DOI: 10.7270/Q2BZ6784
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50602335 (CHEMBL5186309) Show SMILES [H][C@@]12Cc3cc(Cl)c(Br)cc3C(=O)N1CCc1ccccc21 |r| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.20	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00956 BindingDB Entry DOI: 10.7270/Q2HM5DH2
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50137506 ((B(a)P) | 3,4-BP | 3,4-Benzopyrene | 3,4-Benzpyren...) Show SMILES c1ccc2c(c1)cc1ccc3cccc4ccc2c1c34 Show InChI InChI=1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a
Kyushu University Curated by ChEMBL					Assay Description Concentration of the compound to bind to human AhR-modied electrode				Bioorg Med Chem Lett 14: 137-41 (2003) BindingDB Entry DOI: 10.7270/Q2WW7H2D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50408303 (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	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.61	n/a	n/a	n/a	n/a
Harvard University Curated by ChEMBL					Assay Description Affinity on cytosolic Aromatic hydrocarbon receptor (Ah)				J Med Chem 40: 4360-71 (1998) Article DOI: 10.1021/jm970488n BindingDB Entry DOI: 10.7270/Q2BZ6784
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50028963 (3-Phenyl-1H-naphtho[2,1-b]pyran-1-one | 3-Phenyl-b...) Show SMILES O=c1cc(oc2ccc3ccccc3c12)-c1ccccc1 Show InChI InChI=1S/C19H12O2/c20-16-12-18(14-7-2-1-3-8-14)21-17-11-10-13-6-4-5-9-15(13)19(16)17/h1-12H	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	8.40	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Agonist activity at AhR (unknown origin)				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111842 BindingDB Entry DOI: 10.7270/Q2N019SX
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50603555 (CHEMBL5199691) Show SMILES Brc1cccc(c1)-c1nc2ccc(Br)cn2n1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	9.60	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114122 BindingDB Entry DOI: 10.7270/Q2BP06WR
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	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 DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
Harvard University Curated by ChEMBL					Assay Description Affinity on cytosolic Aromatic hydrocarbon receptor (Ah)				J Med Chem 40: 4360-71 (1998) Article DOI: 10.1021/jm970488n BindingDB Entry DOI: 10.7270/Q2BZ6784
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50408353 (CHEMBL138223) Show SMILES Clc1cc2Oc3cc(Cl)c(Br)cc3Oc2cc1Cl Show InChI InChI=1S/C12H4BrCl3O2/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 DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	11.5	n/a	n/a	n/a	n/a
Harvard University Curated by ChEMBL					Assay Description Affinity on cytosolic Aromatic hydrocarbon receptor (Ah)				J Med Chem 40: 4360-71 (1998) Article DOI: 10.1021/jm970488n BindingDB Entry DOI: 10.7270/Q2BZ6784
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50408369 (CHEMBL335558) Show SMILES Clc1cc2oc3c(Cl)c(Cl)c(Cl)cc3c2cc1Cl Show InChI InChI=1S/C12H3Cl5O/c13-6-1-4-5-2-8(15)10(16)11(17)12(5)18-9(4)3-7(6)14/h1-3H	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	15.1	n/a	n/a	n/a	n/a
Harvard University Curated by ChEMBL					Assay Description Affinity on cytosolic Aromatic hydrocarbon receptor (Ah)				J Med Chem 40: 4360-71 (1998) Article DOI: 10.1021/jm970488n BindingDB Entry DOI: 10.7270/Q2BZ6784
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50408334 (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 KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	15.5	n/a	n/a	n/a	n/a
Harvard University Curated by ChEMBL					Assay Description Affinity on cytosolic Aromatic hydrocarbon receptor (Ah)				J Med Chem 40: 4360-71 (1998) Article DOI: 10.1021/jm970488n BindingDB Entry DOI: 10.7270/Q2BZ6784
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50408300 (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	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	17.0	n/a	n/a	n/a	n/a
Harvard University Curated by ChEMBL					Assay Description Affinity on cytosolic Aromatic hydrocarbon receptor (Ah)				J Med Chem 40: 4360-71 (1998) Article DOI: 10.1021/jm970488n BindingDB Entry DOI: 10.7270/Q2BZ6784
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM75530 (MLS001200027 | N-(4-chlorophenyl)-4-methyl-2-(meth...) Show SMILES CSc1ncc(C(=O)Nc2ccc(Cl)cc2)c(C)n1 Show InChI InChI=1S/C13H12ClN3OS/c1-8-11(7-15-13(16-8)19-2)12(18)17-10-5-3-9(14)4-6-10/h3-7H,1-2H3,(H,17,18)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	22.2	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2K93612
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50603563 (CHEMBL5198934) Show SMILES Brc1ccc(cc1)-c1nc2ccc(cn2n1)C#N Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	23	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114122 BindingDB Entry DOI: 10.7270/Q2BP06WR
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50408293 (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	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	25.1	n/a	n/a	n/a	n/a
Harvard University Curated by ChEMBL					Assay Description Affinity on cytosolic Aromatic hydrocarbon receptor (Ah)				J Med Chem 40: 4360-71 (1998) Article DOI: 10.1021/jm970488n BindingDB Entry DOI: 10.7270/Q2BZ6784
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50603566 (Benvitimod | GSK-2894512 | GSK2894512 | TAPINAROF ...) Show SMILES CC(C)c1c(O)cc(\C=C\c2ccccc2)cc1O Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	27	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114122 BindingDB Entry DOI: 10.7270/Q2BP06WR
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50605062 (CHEMBL5185943) Show SMILES OCc1csc(n1)C(O)c1c[nH]c2ccccc12 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	32	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00208 BindingDB Entry DOI: 10.7270/Q27D3076
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50408308 (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	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	41.0	n/a	n/a	n/a	n/a
Harvard University Curated by ChEMBL					Assay Description Affinity on cytosolic Aromatic hydrocarbon receptor (Ah)				J Med Chem 40: 4360-71 (1998) Article DOI: 10.1021/jm970488n BindingDB Entry DOI: 10.7270/Q2BZ6784
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50408302 (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	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	46.8	n/a	n/a	n/a	n/a
Harvard University Curated by ChEMBL					Assay Description Affinity on cytosolic Aromatic hydrocarbon receptor (Ah)				J Med Chem 40: 4360-71 (1998) Article DOI: 10.1021/jm970488n BindingDB Entry DOI: 10.7270/Q2BZ6784
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50506038 (CHEMBL4580482) Show SMILES Cc1cc(Cl)cc2c1oc1cc(Cl)cc(Cl)c21 Show InChI InChI=1S/C13H7Cl3O/c1-6-2-7(14)3-9-12-10(16)4-8(15)5-11(12)17-13(6)9/h2-5H,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	49	n/a	n/a	n/a	n/a
University of Perugia Curated by ChEMBL					Assay Description Binding affinity to AhR (unknown origin) relative to TCDD				Eur J Med Chem 185: (2020) Article DOI: 10.1016/j.ejmech.2019.111842 BindingDB Entry DOI: 10.7270/Q2N019SX
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50049061 (CHEMBL3319501 | US10730833, Compound 11d | US99696...) Show SMILES Cn1cc(Cc2[nH]c3ccccc3c2C=O)c2ccccc12 Show InChI InChI=1S/C19H16N2O/c1-21-11-13(14-6-3-5-9-19(14)21)10-18-16(12-22)15-7-2-4-8-17(15)20-18/h2-9,11-12,20H,10H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	n/a	n/a	55	n/a	n/a	n/a	n/a
University of St Andrews					Assay Description AhR readily binds to various endogenous and xenobiotic polyaromatic heterocycles.				J Med Chem 52: 2673-82 (2009) BindingDB Entry DOI: 10.7270/Q2DN47DP
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50049061 (CHEMBL3319501 | US10730833, Compound 11d | US99696...) Show SMILES Cn1cc(Cc2[nH]c3ccccc3c2C=O)c2ccccc12 Show InChI InChI=1S/C19H16N2O/c1-21-11-13(14-6-3-5-9-19(14)21)10-18-16(12-22)15-7-2-4-8-17(15)20-18/h2-9,11-12,20H,10H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	n/a	n/a	55	n/a	n/a	n/a	n/a
Wisconsin Alumni Research Foundation US Patent					Assay Description This assay measures the induction of cytochrome P450-1A1 (CYP1A1), which is a major outcome of AhR activation. Whyte, J. J.; Jung, R. E.; Schmitt, C....				US Patent US10730833 (2020) BindingDB Entry DOI: 10.7270/Q2BK1GFK
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50049061 (CHEMBL3319501 | US10730833, Compound 11d | US99696...) Show SMILES Cn1cc(Cc2[nH]c3ccccc3c2C=O)c2ccccc12 Show InChI InChI=1S/C19H16N2O/c1-21-11-13(14-6-3-5-9-19(14)21)10-18-16(12-22)15-7-2-4-8-17(15)20-18/h2-9,11-12,20H,10H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	55	n/a	n/a	n/a	n/a
University of Wisconsin Curated by ChEMBL					Assay Description Activation of AhR in human HepG2 cells assessed as fluorescence after 24 hrs incubation by EROD assay				Bioorg Med Chem Lett 24: 4023-5 (2014) Article DOI: 10.1016/j.bmcl.2014.06.009 BindingDB Entry DOI: 10.7270/Q2TX3H0Q
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50603544 (CHEMBL5195426) Show SMILES [O-][n+]1c(nc2cc(Br)ccn12)-c1ccc(Br)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	62	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114122 BindingDB Entry DOI: 10.7270/Q2BP06WR
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50408340 (CHEMBL136782) Show SMILES Clc1ccc2c(oc3c(Cl)cc(Cl)c(Cl)c23)c1Cl Show InChI InChI=1S/C12H3Cl5O/c13-5-2-1-4-8-9(16)6(14)3-7(15)12(8)18-11(4)10(5)17/h1-3H	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	67.8	n/a	n/a	n/a	n/a
Harvard University Curated by ChEMBL					Assay Description Affinity on cytosolic Aromatic hydrocarbon receptor (Ah)				J Med Chem 40: 4360-71 (1998) Article DOI: 10.1021/jm970488n BindingDB Entry DOI: 10.7270/Q2BZ6784
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM75514 (2-N,5-N-bis(2-methoxyphenyl)pyridine-2,5-dicarboxa...) Show SMILES COc1ccccc1NC(=O)c1ccc(nc1)C(=O)Nc1ccccc1OC Show InChI InChI=1S/C21H19N3O4/c1-27-18-9-5-3-7-15(18)23-20(25)14-11-12-17(22-13-14)21(26)24-16-8-4-6-10-19(16)28-2/h3-13H,1-2H3,(H,23,25)(H,24,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	68.6	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2K93612
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50408314 (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	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	71.0	n/a	n/a	n/a	n/a
Harvard University Curated by ChEMBL					Assay Description Affinity on cytosolic Aromatic hydrocarbon receptor (Ah)				J Med Chem 40: 4360-71 (1998) Article DOI: 10.1021/jm970488n BindingDB Entry DOI: 10.7270/Q2BZ6784
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50408381 (CHEMBL137304) Show SMILES Clc1cc2oc3cc(Cl)c(Cl)c(Cl)c3c2cc1Cl Show InChI InChI=1S/C12H3Cl5O/c13-5-1-4-8(2-6(5)14)18-9-3-7(15)11(16)12(17)10(4)9/h1-3H	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	74.1	n/a	n/a	n/a	n/a
Harvard University Curated by ChEMBL					Assay Description Affinity on cytosolic Aromatic hydrocarbon receptor (Ah)				J Med Chem 40: 4360-71 (1998) Article DOI: 10.1021/jm970488n BindingDB Entry DOI: 10.7270/Q2BZ6784
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50603542 (CHEMBL5183442) Show SMILES [O-][n+]1c(nc2ccc(cn12)C#N)-c1ccc(Br)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	77	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114122 BindingDB Entry DOI: 10.7270/Q2BP06WR
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50408363 (CHEMBL137220) Show SMILES Clc1cc2Oc3cc(Cl)c(Cl)c(Cl)c3Oc2cc1Cl Show InChI InChI=1S/C12H3Cl5O2/c13-4-1-7-8(2-5(4)14)19-12-9(18-7)3-6(15)10(16)11(12)17/h1-3H	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	79.4	n/a	n/a	n/a	n/a
Harvard University Curated by ChEMBL					Assay Description Affinity on cytosolic Aromatic hydrocarbon receptor (Ah)				J Med Chem 40: 4360-71 (1998) Article DOI: 10.1021/jm970488n BindingDB Entry DOI: 10.7270/Q2BZ6784
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50603546 (CHEMBL5207451) Show SMILES [O-][n+]1c(nc2cc(F)ccn12)-c1ccc(Br)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	83	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114122 BindingDB Entry DOI: 10.7270/Q2BP06WR
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50049057 (CHEMBL3319505 | US10730833, Compound 10d | US99696...) Show SMILES Cn1cc(Cc2cc3ccccc3[nH]2)c2ccccc12 Show InChI InChI=1S/C18H16N2/c1-20-12-14(16-7-3-5-9-18(16)20)11-15-10-13-6-2-4-8-17(13)19-15/h2-10,12,19H,11H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	86	n/a	n/a	n/a	n/a
University of Wisconsin Curated by ChEMBL					Assay Description Activation of AhR in human HepG2 cells assessed as fluorescence after 24 hrs incubation by EROD assay				Bioorg Med Chem Lett 24: 4023-5 (2014) Article DOI: 10.1016/j.bmcl.2014.06.009 BindingDB Entry DOI: 10.7270/Q2TX3H0Q
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50049057 (CHEMBL3319505 | US10730833, Compound 10d | US99696...) Show SMILES Cn1cc(Cc2cc3ccccc3[nH]2)c2ccccc12 Show InChI InChI=1S/C18H16N2/c1-20-12-14(16-7-3-5-9-18(16)20)11-15-10-13-6-2-4-8-17(13)19-15/h2-10,12,19H,11H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	86	n/a	n/a	n/a	n/a
Wisconsin Alumni Research Foundation US Patent					Assay Description This assay measures the induction of cytochrome P450-1A1 (CYP1A1), which is a major outcome of AhR activation. Whyte, J. J.; Jung, R. E.; Schmitt, C....				US Patent US10730833 (2020) BindingDB Entry DOI: 10.7270/Q2BK1GFK
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50049057 (CHEMBL3319505 | US10730833, Compound 10d | US99696...) Show SMILES Cn1cc(Cc2cc3ccccc3[nH]2)c2ccccc12 Show InChI InChI=1S/C18H16N2/c1-20-12-14(16-7-3-5-9-18(16)20)11-15-10-13-6-2-4-8-17(13)19-15/h2-10,12,19H,11H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	86	n/a	n/a	n/a	n/a
University of St Andrews					Assay Description AhR readily binds to various endogenous and xenobiotic polyaromatic heterocycles.				J Med Chem 52: 2673-82 (2009) BindingDB Entry DOI: 10.7270/Q2DN47DP
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50408322 (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	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	92.9	n/a	n/a	n/a	n/a
Harvard University Curated by ChEMBL					Assay Description Affinity on cytosolic Aromatic hydrocarbon receptor (Ah)				J Med Chem 40: 4360-71 (1998) Article DOI: 10.1021/jm970488n BindingDB Entry DOI: 10.7270/Q2BZ6784
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50049064 (CHEMBL3319498 | US10730833, Compound 11a | US99696...) Show SMILES Clc1ccc2[nH]cc(Cc3[nH]c4ccccc4c3C=O)c2c1 Show InChI InChI=1S/C18H13ClN2O/c19-12-5-6-16-14(8-12)11(9-20-16)7-18-15(10-22)13-3-1-2-4-17(13)21-18/h1-6,8-10,20-21H,7H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	93	n/a	n/a	n/a	n/a
University of Wisconsin Curated by ChEMBL					Assay Description Activation of AhR in human HepG2 cells assessed as fluorescence after 24 hrs incubation by EROD assay				Bioorg Med Chem Lett 24: 4023-5 (2014) Article DOI: 10.1016/j.bmcl.2014.06.009 BindingDB Entry DOI: 10.7270/Q2TX3H0Q
					More data for this Ligand-Target Pair

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