BDBM166354 US9067949, 211

SMILES: Cn1cc(c2ccccc12)S(=O)(=O)c1cc(C#N)c2oc3CCNCc3c2c1

InChI Key: InChIKey=RGCVLABUYJPAGR-UHFFFAOYSA-N

Data: 1 KI

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 1 hit for monomerid = 166354   

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))	BDBM166354 (US9067949, 211) Show SMILES Cn1cc(c2ccccc12)S(=O)(=O)c1cc(C#N)c2oc3CCNCc3c2c1 Show InChI InChI=1S/C21H17N3O3S/c1-24-12-20(15-4-2-3-5-18(15)24)28(25,26)14-8-13(10-22)21-16(9-14)17-11-23-7-6-19(17)27-21/h2-5,8-9,12,23H,6-7,11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.400	-12.8	n/a	n/a	n/a	n/a	n/a	7.5	25
Albany Molecular Research, Inc. US Patent					Assay Description For binding analysis vs. the human receptor, samples were incubated in 50 mM Tris-HCl, pH 7.5, 5 mM MgCl2, 1 mM EDTA (4% DMSO final) with 10 nM [N-me...				US Patent US9067949 (2015) BindingDB Entry DOI: 10.7270/Q23777FB
					More data for this Ligand-Target Pair