BDBM244391 US9550763, Compound I-143

SMILES: Clc1ccc(Cn2c(=O)c(NC(=O)C3CCOCC3)c[nH]\c2=N/c2ccc(Oc3cnc(cn3)C#N)cc2)cc1

InChI Key: InChIKey=YTVXHIYFAXHHCQ-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 = 244391   

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))	BDBM244391 (US9550763, Compound I-143) Show SMILES Clc1ccc(Cn2c(=O)c(NC(=O)C3CCOCC3)c[nH]\c2=N/c2ccc(Oc3cnc(cn3)C#N)cc2)cc1 Show InChI InChI=1S/C28H24ClN7O4/c29-20-3-1-18(2-4-20)17-36-27(38)24(35-26(37)19-9-11-39-12-10-19)15-33-28(36)34-21-5-7-23(8-6-21)40-25-16-31-22(13-30)14-32-25/h1-8,14-16,19H,9-12,17H2,(H,33,34)(H,35,37)	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
					More data for this Ligand-Target Pair