BDBM266895 US9718790, I-2636

SMILES: COC(=O)CCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(cn3)C#N)cc2)n(Cc2ccc(C)cc2)c1=O

InChI Key: InChIKey=GHKWQLYUTVMKGQ-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 = 266895   

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))	BDBM266895 (US9718790, I-2636) Show SMILES COC(=O)CCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccc(cn3)C#N)cc2)n(Cc2ccc(C)cc2)c1=O Show InChI InChI=1S/C27H24N6O5/c1-18-3-5-19(6-4-18)17-33-25(31-26(35)32(27(33)36)14-13-24(34)37-2)30-21-8-10-22(11-9-21)38-23-12-7-20(15-28)16-29-23/h3-12,16H,13-14,17H2,1-2H3,(H,30,31,35)	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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