Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Aryl hydrocarbon receptor' and Ligand = 'BDBM50049057'   

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
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