Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 3' and Ligand = 'BDBM183130'   

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))	BDBM183130 (US9150546, I-283 | US9688643, I-283 | US9718790, I...) Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CC(F)(F)C(O)=O)c(=O)n2Cc2ccc(Cl)cc2)cc1F Show InChI InChI=1S/C22H20ClF3N4O5/c1-12(2)35-17-8-7-15(9-16(17)24)27-19-28-20(33)30(11-22(25,26)18(31)32)21(34)29(19)10-13-3-5-14(23)6-4-13/h3-9,12H,10-11H2,1-2H3,(H,31,32)(H,27,28,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	19	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))	BDBM183130 (US9150546, I-283 | US9688643, I-283 | US9718790, I...) Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CC(F)(F)C(O)=O)c(=O)n2Cc2ccc(Cl)cc2)cc1F Show InChI InChI=1S/C22H20ClF3N4O5/c1-12(2)35-17-8-7-15(9-16(17)24)27-19-28-20(33)30(11-22(25,26)18(31)32)21(34)29(19)10-13-3-5-14(23)6-4-13/h3-9,12H,10-11H2,1-2H3,(H,31,32)(H,27,28,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	19	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))	BDBM183130 (US9150546, I-283 | US9688643, I-283 | US9718790, I...) Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CC(F)(F)C(O)=O)c(=O)n2Cc2ccc(Cl)cc2)cc1F Show InChI InChI=1S/C22H20ClF3N4O5/c1-12(2)35-17-8-7-15(9-16(17)24)27-19-28-20(33)30(11-22(25,26)18(31)32)21(34)29(19)10-13-3-5-14(23)6-4-13/h3-9,12H,10-11H2,1-2H3,(H,31,32)(H,27,28,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	19	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