BDBM265753 US9718790, I-1990

SMILES: CCOC(=O)CCn1c(=O)[nH]\c(=N/c2ccc3nc(C)sc3c2)n(CC2CCC(C)CC2)c1=O

InChI Key: InChIKey=XZAMDCPIHWIQIP-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 = 265753   

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))	BDBM265753 (US9718790, I-1990) Show SMILES CCOC(=O)CCn1c(=O)[nH]\c(=N/c2ccc3nc(C)sc3c2)n(CC2CCC(C)CC2)c1=O |(9.96,2.31,;8.62,3.08,;7.29,2.31,;5.96,3.08,;5.96,4.62,;4.62,2.31,;3.29,3.08,;1.95,2.31,;.62,3.08,;.62,4.62,;-.71,2.31,;-.71,.77,;-2.05,,;-3.38,.77,;-3.38,2.31,;-4.71,3.08,;-6.05,2.31,;-7.51,2.79,;-8.42,1.54,;-9.96,1.54,;-7.51,.29,;-6.05,.77,;-4.71,,;.62,,;.62,-1.54,;1.95,-2.31,;1.95,-3.85,;3.29,-4.62,;4.62,-3.85,;5.96,-4.62,;4.62,-2.31,;3.29,-1.54,;1.95,.77,;3.29,,)| Show InChI InChI=1S/C24H31N5O4S/c1-4-33-21(30)11-12-28-23(31)27-22(26-18-9-10-19-20(13-18)34-16(3)25-19)29(24(28)32)14-17-7-5-15(2)6-8-17/h9-10,13,15,17H,4-8,11-12,14H2,1-3H3,(H,26,27,31)	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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