Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 6' and Ligand = 'BDBM111787'   

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
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM111787 (US8618114, 1.2.22(2).HCl) Show SMILES CNc1nn2c(C)c(CN)c(C)nc2c1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C16H19N5O2S/c1-10-13(9-17)11(2)21-16(19-10)14(15(18-3)20-21)24(22,23)12-7-5-4-6-8-12/h4-8H,9,17H2,1-3H3,(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.560	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))	BDBM111787 (US8618114, 1.2.22(2).HCl) Show SMILES CNc1nn2c(C)c(CN)c(C)nc2c1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C16H19N5O2S/c1-10-13(9-17)11(2)21-16(19-10)14(15(18-3)20-21)24(22,23)12-7-5-4-6-8-12/h4-8H,9,17H2,1-3H3,(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9	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