BDBM50049064 CHEMBL3319498::US10730833, Compound 11a::US9969686, Compound 11a

SMILES: Clc1ccc2[nH]cc(Cc3[nH]c4ccccc4c3C=O)c2c1

InChI Key: InChIKey=IDDUUHHPSKLXPI-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 = 50049064   

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))	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 UniProtKB/TrEMBL 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
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 UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	n/a	n/a	93	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))	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 UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	n/a	n/a	93	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