Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 3' and Ligand = 'BDBM183251'   

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))	BDBM183251 (US9150546, I-422 | US9688643, I-422 | US9718790, I...) Show SMILES CCOC(=O)C1(Cn2c(=O)[nH]\c(=N/c3ccc(OC(C)C)c(F)c3)n(Cc3ccc(Cl)cc3)c2=O)CC1 Show InChI InChI=1S/C26H28ClFN4O5/c1-4-36-22(33)26(11-12-26)15-32-24(34)30-23(29-19-9-10-21(20(28)13-19)37-16(2)3)31(25(32)35)14-17-5-7-18(27)8-6-17/h5-10,13,16H,4,11-12,14-15H2,1-3H3,(H,29,30,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	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))	BDBM183251 (US9150546, I-422 | US9688643, I-422 | US9718790, I...) Show SMILES CCOC(=O)C1(Cn2c(=O)[nH]\c(=N/c3ccc(OC(C)C)c(F)c3)n(Cc3ccc(Cl)cc3)c2=O)CC1 Show InChI InChI=1S/C26H28ClFN4O5/c1-4-36-22(33)26(11-12-26)15-32-24(34)30-23(29-19-9-10-21(20(28)13-19)37-16(2)3)31(25(32)35)14-17-5-7-18(27)8-6-17/h5-10,13,16H,4,11-12,14-15H2,1-3H3,(H,29,30,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	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))	BDBM183251 (US9150546, I-422 | US9688643, I-422 | US9718790, I...) Show SMILES CCOC(=O)C1(Cn2c(=O)[nH]\c(=N/c3ccc(OC(C)C)c(F)c3)n(Cc3ccc(Cl)cc3)c2=O)CC1 Show InChI InChI=1S/C26H28ClFN4O5/c1-4-36-22(33)26(11-12-26)15-32-24(34)30-23(29-19-9-10-21(20(28)13-19)37-16(2)3)31(25(32)35)14-17-5-7-18(27)8-6-17/h5-10,13,16H,4,11-12,14-15H2,1-3H3,(H,29,30,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	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