BDBM106177 US8575197, II-090

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

InChI Key: InChIKey=DSQQPWKIIKFGHE-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 = 106177   

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))	BDBM106177 (US8575197, II-090) Show SMILES CC(C)c1[nH]nc2C(=O)N(C(c12)c1ccccc1C(N)=O)c1ccc(cc1)-c1ccsc1 Show InChI InChI=1S/C25H22N4O2S/c1-14(2)21-20-22(28-27-21)25(31)29(23(20)18-5-3-4-6-19(18)24(26)30)17-9-7-15(8-10-17)16-11-12-32-13-16/h3-14,23H,1-2H3,(H2,26,30)(H,27,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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