BDBM50417920 CHEMBL1668592::US8829009, 1.1(3)

SMILES: CNc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccc(F)cc1

InChI Key: InChIKey=KDUSPNDDQIZEGT-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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 2 hits for monomerid = 50417920   

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
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50417920 (CHEMBL1668592 | US8829009, 1.1(3)) Show SMILES CNc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C15H15FN4O2S/c1-9-8-10(2)20-15(18-9)13(14(17-3)19-20)23(21,22)12-6-4-11(16)5-7-12/h4-8H,1-3H3,(H,17,19)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chemical Diversity Research Institute Curated by ChEMBL					Assay Description Antagonist activity at human recombinant 5HT6 receptor expressed in HEK293 cells assessed as inhibition of serotonin-induced cAMP accumulation after ...				Bioorg Med Chem 19: 1482-91 (2011) Article DOI: 10.1016/j.bmc.2010.12.055 BindingDB Entry DOI: 10.7270/Q21G0NJS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50417920 (CHEMBL1668592 | US8829009, 1.1(3)) Show SMILES CNc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C15H15FN4O2S/c1-9-8-10(2)20-15(18-9)13(14(17-3)19-20)23(21,22)12-6-4-11(16)5-7-12/h4-8H,1-3H3,(H,17,19)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description Determination of antagonistic activity of compounds of general formula 1 towards 5-HT6 receptors. Compounds of general formula 1 were tested for thei...				US Patent US8829009 (2014) BindingDB Entry DOI: 10.7270/Q2TH8KC7
					More data for this Ligand-Target Pair