BDBM266170 US9718790, I-2157

SMILES: CCCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(nc3)C(=O)OC)cc2)n(Cc2ccc(Cl)cc2)c1=O

InChI Key: InChIKey=XGOUBOSJWVMAOH-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 266170   

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))	BDBM266170 (US9718790, I-2157) Show SMILES CCCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(nc3)C(=O)OC)cc2)n(Cc2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C26H24ClN5O5/c1-3-14-31-25(34)30-24(32(26(31)35)16-17-4-6-18(27)7-5-17)29-19-8-10-20(11-9-19)37-21-12-13-22(28-15-21)23(33)36-2/h4-13,15H,3,14,16H2,1-2H3,(H,29,30,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Stably expressing cell line (C6BU-1 transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded in a ...				US Patent US9718790 (2017) BindingDB Entry DOI: 10.7270/Q22809KB
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