BDBM50049059 CHEMBL3319503::US10730833, Compound 10a::US9969686, Compound 10a

SMILES: Clc1ccc2[nH]cc(Cc3cc4ccccc4[nH]3)c2c1

InChI Key: InChIKey=OSTIXKKSSZMBPY-UHFFFAOYSA-N

Data: 1 IC50  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 4 hits for monomerid = 50049059   

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))	BDBM50049059 (CHEMBL3319503 | US10730833, Compound 10a | US99696...) Show SMILES Clc1ccc2[nH]cc(Cc3cc4ccccc4[nH]3)c2c1 Show InChI InChI=1S/C17H13ClN2/c18-13-5-6-17-15(9-13)12(10-19-17)8-14-7-11-3-1-2-4-16(11)20-14/h1-7,9-10,19-20H,8H2	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	>6.70E+3	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
Subtilisin/kexin type 9 (Homo sapiens (Human))	BDBM50049059 (CHEMBL3319503 | US10730833, Compound 10a | US99696...) Show SMILES Clc1ccc2[nH]cc(Cc3cc4ccccc4[nH]3)c2c1 Show InChI InChI=1S/C17H13ClN2/c18-13-5-6-17-15(9-13)12(10-19-17)8-14-7-11-3-1-2-4-16(11)20-14/h1-7,9-10,19-20H,8H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin Curated by ChEMBL					Assay Description Inhibition of human PCSK9 in HepG2 cells incubated for 48 hrs by AlphaLISA assay				Bioorg Med Chem Lett 29: 2345-2348 (2019) Article DOI: 10.1016/j.bmcl.2019.06.014
					More data for this Ligand-Target Pair
Aryl hydrocarbon receptor (Homo sapiens (Human))	BDBM50049059 (CHEMBL3319503 | US10730833, Compound 10a | US99696...) Show SMILES Clc1ccc2[nH]cc(Cc3cc4ccccc4[nH]3)c2c1 Show InChI InChI=1S/C17H13ClN2/c18-13-5-6-17-15(9-13)12(10-19-17)8-14-7-11-3-1-2-4-16(11)20-14/h1-7,9-10,19-20H,8H2	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	>6.70E+3	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))	BDBM50049059 (CHEMBL3319503 | US10730833, Compound 10a | US99696...) Show SMILES Clc1ccc2[nH]cc(Cc3cc4ccccc4[nH]3)c2c1 Show InChI InChI=1S/C17H13ClN2/c18-13-5-6-17-15(9-13)12(10-19-17)8-14-7-11-3-1-2-4-16(11)20-14/h1-7,9-10,19-20H,8H2	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	>6.70E+3	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