Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 3' and Ligand = 'BDBM183319'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM183319 (US9150546, I-489 | US9688643, I-489 | US9718790, I...) Show SMILES COC(=O)C(C)(C)Cn1c(=O)[nH]\c(=N/c2ccc3oc(C)cc3c2)n(Cc2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C25H25ClN4O5/c1-15-11-17-12-19(9-10-20(17)35-15)27-22-28-23(32)30(14-25(2,3)21(31)34-4)24(33)29(22)13-16-5-7-18(26)8-6-16/h5-12H,13-14H2,1-4H3,(H,27,28,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	7.5	37
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 US9150546 (2015) BindingDB Entry DOI: 10.7270/Q2416VV1
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM183319 (US9150546, I-489 | US9688643, I-489 | US9718790, I...) Show SMILES COC(=O)C(C)(C)Cn1c(=O)[nH]\c(=N/c2ccc3oc(C)cc3c2)n(Cc2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C25H25ClN4O5/c1-15-11-17-12-19(9-10-20(17)35-15)27-22-28-23(32)30(14-25(2,3)21(31)34-4)24(33)29(22)13-16-5-7-18(26)8-6-16/h5-12H,13-14H2,1-4H3,(H,27,28,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	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 (Homo sapiens (Human))	BDBM183319 (US9150546, I-489 | US9688643, I-489 | US9718790, I...) Show SMILES COC(=O)C(C)(C)Cn1c(=O)[nH]\c(=N/c2ccc3oc(C)cc3c2)n(Cc2ccc(Cl)cc2)c1=O Show InChI InChI=1S/C25H25ClN4O5/c1-15-11-17-12-19(9-10-20(17)35-15)27-22-28-23(32)30(14-25(2,3)21(31)34-4)24(33)29(22)13-16-5-7-18(26)8-6-16/h5-12H,13-14H2,1-4H3,(H,27,28,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC 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 US9688643 (2017) BindingDB Entry DOI: 10.7270/Q2M32SZ2
					More data for this Ligand-Target Pair