BDBM265250 US9718790, I-1788

SMILES: CCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccnc(c3)C(O)=O)cc2)n(Cc2ccc(Cl)cc2)c1=O

InChI Key: InChIKey=HQDKXIYLVPUFME-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 = 265250   

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)	BDBM265250 (US9718790, I-1788) Show SMILES CCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccnc(c3)C(O)=O)cc2)n(Cc2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C24H20ClN5O5/c1-2-29-23(33)28-22(30(24(29)34)14-15-3-5-16(25)6-4-15)27-17-7-9-18(10-8-17)35-19-11-12-26-20(13-19)21(31)32/h3-13H,2,14H2,1H3,(H,31,32)(H,27,28,33)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	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))	BDBM265250 (US9718790, I-1788) Show SMILES CCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccnc(c3)C(O)=O)cc2)n(Cc2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C24H20ClN5O5/c1-2-29-23(33)28-22(30(24(29)34)14-15-3-5-16(25)6-4-15)27-17-7-9-18(10-8-17)35-19-11-12-26-20(13-19)21(31)32/h3-13H,2,14H2,1H3,(H,31,32)(H,27,28,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	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)	BDBM265250 (US9718790, I-1788) Show SMILES CCn1c(=O)[nH]\c(=N/c2ccc(Oc3ccnc(c3)C(O)=O)cc2)n(Cc2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C24H20ClN5O5/c1-2-29-23(33)28-22(30(24(29)34)14-15-3-5-16(25)6-4-15)27-17-7-9-18(10-8-17)35-19-11-12-26-20(13-19)21(31)32/h3-13H,2,14H2,1H3,(H,31,32)(H,27,28,33)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	59	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