Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aryl hydrocarbon receptor' and Ligand = 'BDBM50191411'   

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))	BDBM50191411 ((2'Z,3'E)-7-bromoindirubin-3'-[O-(2-dimethylaminoe...) Show SMILES C[NH+](C)CCO\N=C1\C(=Nc2ccccc12)c1c(O)[nH]c2c(Br)cccc12 |c:8| Show InChI InChI=1S/C20H19BrN4O2/c1-25(2)10-11-27-24-18-12-6-3-4-9-15(12)22-19(18)16-13-7-5-8-14(21)17(13)23-20(16)26/h3-9,23,26H,10-11H2,1-2H3/p+1/b24-18+	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
C.N.R.S. Curated by ChEMBL					Assay Description Survival of mouse AhR +/+ 5L cells after 48 hrs by MTS reduction assay				J Med Chem 49: 4638-49 (2006) Article DOI: 10.1021/jm060314i BindingDB Entry DOI: 10.7270/Q21G0N3Z
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