Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 3' and Ligand = 'BDBM183180'   

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))	BDBM183180 (US9150546, I-343 | US9688643, I-343 | US9718790, I...) Show SMILES COc1ccc(Cn2c(=O)nc(Nc3ccc(OC(C)C)c(F)c3)n(Cc3ccc(Cl)cc3)c2=O)cc1 Show InChI InChI=1S/C27H26ClFN4O4/c1-17(2)37-24-13-10-21(14-23(24)29)30-25-31-26(34)33(16-19-6-11-22(36-3)12-7-19)27(35)32(25)15-18-4-8-20(28)9-5-18/h4-14,17H,15-16H2,1-3H3,(H,30,31,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	21	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))	BDBM183180 (US9150546, I-343 | US9688643, I-343 | US9718790, I...) Show SMILES COc1ccc(Cn2c(=O)nc(Nc3ccc(OC(C)C)c(F)c3)n(Cc3ccc(Cl)cc3)c2=O)cc1 Show InChI InChI=1S/C27H26ClFN4O4/c1-17(2)37-24-13-10-21(14-23(24)29)30-25-31-26(34)33(16-19-6-11-22(36-3)12-7-19)27(35)32(25)15-18-4-8-20(28)9-5-18/h4-14,17H,15-16H2,1-3H3,(H,30,31,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	21	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))	BDBM183180 (US9150546, I-343 | US9688643, I-343 | US9718790, I...) Show SMILES COc1ccc(Cn2c(=O)nc(Nc3ccc(OC(C)C)c(F)c3)n(Cc3ccc(Cl)cc3)c2=O)cc1 Show InChI InChI=1S/C27H26ClFN4O4/c1-17(2)37-24-13-10-21(14-23(24)29)30-25-31-26(34)33(16-19-6-11-22(36-3)12-7-19)27(35)32(25)15-18-4-8-20(28)9-5-18/h4-14,17H,15-16H2,1-3H3,(H,30,31,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	21	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