BDBM111788 US8618114, 1.2.22(3).HCl

SMILES: CNc1nn2c(C)c(CCN)c(C)nc2c1S(=O)(=O)c1ccccc1

InChI Key: InChIKey=TUVYXOIGALSWMM-UHFFFAOYSA-N

Data: 2 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 = 111788   

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))	BDBM111788 (US8618114, 1.2.22(3).HCl) Show SMILES CNc1nn2c(C)c(CCN)c(C)nc2c1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C17H21N5O2S/c1-11-14(9-10-18)12(2)22-17(20-11)15(16(19-3)21-22)25(23,24)13-7-5-4-6-8-13/h4-8H,9-10,18H2,1-3H3,(H,19,21)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.645	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description Screening of the disclosed compounds for their potential ability to interact with serotonin 5-HT6 receptors was carried out by method of radioligand ...				US Patent US8618114 (2013) BindingDB Entry DOI: 10.7270/Q2B56HD9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM111788 (US8618114, 1.2.22(3).HCl) Show SMILES CNc1nn2c(C)c(CCN)c(C)nc2c1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C17H21N5O2S/c1-11-14(9-10-18)12(2)22-17(20-11)15(16(19-3)21-22)25(23,24)13-7-5-4-6-8-13/h4-8H,9-10,18H2,1-3H3,(H,19,21)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description Determination of antagonistic activity of compounds of the general formula 1 towards 5-HT6 receptors. Compounds of the general formula 1 were tested ...				US Patent US8618114 (2013) BindingDB Entry DOI: 10.7270/Q2B56HD9
					More data for this Ligand-Target Pair