BDBM50049061 CHEMBL3319501::US10730833, Compound 11d::US9969686, Compound 11d

SMILES: Cn1cc(Cc2[nH]c3ccccc3c2C=O)c2ccccc12

InChI Key: InChIKey=CMFUZBUFEXLHQF-UHFFFAOYSA-N

Data: 3 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50049061   

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))	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 UniProtKB/TrEMBL 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))	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 UniProtKB/TrEMBL 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)
					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 UniProtKB/TrEMBL 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