BDBM266545 US9718790, I-2291

SMILES: OCC(CO)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccon3)cc2)n(Cc2ccc(Cl)cc2)c1=O

InChI Key: InChIKey=QQMBZHUDBVMIJM-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 266545   

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 (RAT)	BDBM266545 (US9718790, I-2291) Show SMILES OCC(CO)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccon3)cc2)n(Cc2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C23H22ClN5O6/c24-17-3-1-15(2-4-17)11-28-21(26-22(32)29(23(28)33)12-16(13-30)14-31)25-18-5-7-19(8-6-18)35-20-9-10-34-27-20/h1-10,16,30-31H,11-14H2,(H,25,26,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Rat P2X3 receptor gene (GenBank accession number NM_031075) was expressed in C6BU-1 cell. The cells stably expressing rat P2X3 were seeded in a 96-we...				US Patent US9718790 (2017) BindingDB Entry DOI: 10.7270/Q22809KB
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM266545 (US9718790, I-2291) Show SMILES OCC(CO)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccon3)cc2)n(Cc2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C23H22ClN5O6/c24-17-3-1-15(2-4-17)11-28-21(26-22(32)29(23(28)33)12-16(13-30)14-31)25-18-5-7-19(8-6-18)35-20-9-10-34-27-20/h1-10,16,30-31H,11-14H2,(H,25,26,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	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
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (RAT)	BDBM266545 (US9718790, I-2291) Show SMILES OCC(CO)Cn1c(=O)[nH]\c(=N/c2ccc(Oc3ccon3)cc2)n(Cc2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C23H22ClN5O6/c24-17-3-1-15(2-4-17)11-28-21(26-22(32)29(23(28)33)12-16(13-30)14-31)25-18-5-7-19(8-6-18)35-20-9-10-34-27-20/h1-10,16,30-31H,11-14H2,(H,25,26,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	7.5	n/a
SHIONOGI & CO., LTD. US Patent					Assay Description Rat P2X3 receptor gene (GenBank accession number NM_031075) was expressed in C6BU-1 cell. The cells stably expressing rat P2X3 were seeded in a 96-we...				US Patent US9718790 (2017) BindingDB Entry DOI: 10.7270/Q22809KB
					More data for this Ligand-Target Pair