BDBM103507 CHEMBL2172187::US8552017, 1.1(4).HCl

SMILES: CNc1nn2c3CCN(C)Cc3c(C)nc2c1S(=O)(=O)c1ccccc1

InChI Key: InChIKey=GLGRPQPRAVVCRJ-UHFFFAOYSA-N

Data: 2 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 = 103507   

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))	BDBM103507 (CHEMBL2172187 | US8552017, 1.1(4).HCl) Show SMILES CNc1nn2c3CCN(C)Cc3c(C)nc2c1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C18H21N5O2S/c1-12-14-11-22(3)10-9-15(14)23-18(20-12)16(17(19-2)21-23)26(24,25)13-7-5-4-6-8-13/h4-8H,9-11H2,1-3H3,(H,19,21)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.680	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 Displacement of [3H]lysergic acid diethylamide from human recombinant 5HT6 receptor expressed in HeLa cells after 120 mins				Bioorg Med Chem Lett 22: 4273-80 (2012) Article DOI: 10.1016/j.bmcl.2012.05.036 BindingDB Entry DOI: 10.7270/Q2VH5PZ8
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM103507 (CHEMBL2172187 | US8552017, 1.1(4).HCl) Show SMILES CNc1nn2c3CCN(C)Cc3c(C)nc2c1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C18H21N5O2S/c1-12-14-11-22(3)10-9-15(14)23-18(20-12)16(17(19-2)21-23)26(24,25)13-7-5-4-6-8-13/h4-8H,9-11H2,1-3H3,(H,19,21)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.685	n/a	1.48	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description The screening of the disclosed compounds for their potential ability to interact with serotonin 5-HT6 receptors was carried out b the method of radio...				US Patent US8552017 (2013) BindingDB Entry DOI: 10.7270/Q2R49PDW
					More data for this Ligand-Target Pair