BDBM265448 US9718790, I-1873

SMILES: COC(=O)CCCCn1c(=O)[nH]\c(=N/c2ccc(OC(C)C)c(Cl)c2)n(Cc2ccc(C)cc2)c1=O

InChI Key: InChIKey=ASJOGFYETZHUSY-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 = 265448   

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))	BDBM265448 (US9718790, I-1873) Show SMILES COC(=O)CCCCn1c(=O)[nH]\c(=N/c2ccc(OC(C)C)c(Cl)c2)n(Cc2ccc(C)cc2)c1=O Show InChI InChI=1S/C26H31ClN4O5/c1-17(2)36-22-13-12-20(15-21(22)27)28-24-29-25(33)30(14-6-5-7-23(32)35-4)26(34)31(24)16-19-10-8-18(3)9-11-19/h8-13,15,17H,5-7,14,16H2,1-4H3,(H,28,29,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	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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