BDBM106178 US8575197, II-091

SMILES: CC(C)c1[nH]nc2C(=O)N(C(c12)c1ccccc1C(=O)NCCO)c1ccc(cc1)-c1ccsc1

InChI Key: InChIKey=RCFYYASKAVHZDW-UHFFFAOYSA-N

Data: 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 1 hit for monomerid = 106178   

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
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM106178 (US8575197, II-091) Show SMILES CC(C)c1[nH]nc2C(=O)N(C(c12)c1ccccc1C(=O)NCCO)c1ccc(cc1)-c1ccsc1 Show InChI InChI=1S/C27H26N4O3S/c1-16(2)23-22-24(30-29-23)27(34)31(19-9-7-17(8-10-19)18-11-14-35-15-18)25(22)20-5-3-4-6-21(20)26(33)28-12-13-32/h3-11,14-16,25,32H,12-13H2,1-2H3,(H,28,33)(H,29,30)	PDB KEGG GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co., Ltd. US Patent					Assay Description Inhibition assay using human P2X3 receptor gene (GeneBank accession number Y07683).				US Patent US8575197 (2013) BindingDB Entry DOI: 10.7270/Q2CN72KP
					More data for this Ligand-Target Pair