BDBM266653 US9718790, I-2387

SMILES: CCn1c(=O)[nH]\c(=N/c2ccc(Oc3cccc(n3)C#N)c(OC)c2)n(Cc2ccc(Cl)cc2)c1=O

InChI Key: InChIKey=ZVNWRVBOUDGCLH-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 = 266653   

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))	BDBM266653 (US9718790, I-2387) Show SMILES CCn1c(=O)[nH]\c(=N/c2ccc(Oc3cccc(n3)C#N)c(OC)c2)n(Cc2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C25H21ClN6O4/c1-3-31-24(33)30-23(32(25(31)34)15-16-7-9-17(26)10-8-16)29-18-11-12-20(21(13-18)35-2)36-22-6-4-5-19(14-27)28-22/h4-13H,3,15H2,1-2H3,(H,29,30,33)	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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