BDBM244290 US9550763, Compound I-038

SMILES: NC(=O)c1cccc(Oc2ccc(Nc3ncc(NC(=O)C4CCOCC4)c(=O)n3Cc3ccc(Cl)cc3)cc2)n1

InChI Key: InChIKey=XJQQDUVNNYSCLN-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 = 244290   

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))	BDBM244290 (US9550763, Compound I-038) Show SMILES NC(=O)c1cccc(Oc2ccc(Nc3ncc(NC(=O)C4CCOCC4)c(=O)n3Cc3ccc(Cl)cc3)cc2)n1 Show InChI InChI=1S/C29H27ClN6O5/c30-20-6-4-18(5-7-20)17-36-28(39)24(35-27(38)19-12-14-40-15-13-19)16-32-29(36)33-21-8-10-22(11-9-21)41-25-3-1-2-23(34-25)26(31)37/h1-11,16,19H,12-15,17H2,(H2,31,37)(H,32,33)(H,35,38)	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 cell transfected with human P2X3 receptor gene (GenBank accession number Y07683) was used. The cells were seeded ...				US Patent US9550763 (2017) BindingDB Entry DOI: 10.7270/Q2V126TQ
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