Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 3' and Ligand = 'BDBM183231'   

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))	BDBM183231 (US9150546, I-401 | US9688643, I-401 | US9718790, I...) Show SMILES CC(C)Oc1ccc(cc1Cl)\N=c1/[nH]c(=O)n(CC(C)(C)C(O)=O)c(=O)n1Cc1ccc(Cl)cc1 Show InChI InChI=1S/C24H26Cl2N4O5/c1-14(2)35-19-10-9-17(11-18(19)26)27-21-28-22(33)30(13-24(3,4)20(31)32)23(34)29(21)12-15-5-7-16(25)8-6-15/h5-11,14H,12-13H2,1-4H3,(H,31,32)(H,27,28,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at P2X3 receptor (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128384 BindingDB Entry DOI: 10.7270/Q2S46WTX
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM183231 (US9150546, I-401 | US9688643, I-401 | US9718790, I...) Show SMILES CC(C)Oc1ccc(cc1Cl)\N=c1/[nH]c(=O)n(CC(C)(C)C(O)=O)c(=O)n1Cc1ccc(Cl)cc1 Show InChI InChI=1S/C24H26Cl2N4O5/c1-14(2)35-19-10-9-17(11-18(19)26)27-21-28-22(33)30(13-24(3,4)20(31)32)23(34)29(21)12-15-5-7-16(25)8-6-15/h5-11,14H,12-13H2,1-4H3,(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	7	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))	BDBM183231 (US9150546, I-401 | US9688643, I-401 | US9718790, I...) Show SMILES CC(C)Oc1ccc(cc1Cl)\N=c1/[nH]c(=O)n(CC(C)(C)C(O)=O)c(=O)n1Cc1ccc(Cl)cc1 Show InChI InChI=1S/C24H26Cl2N4O5/c1-14(2)35-19-10-9-17(11-18(19)26)27-21-28-22(33)30(13-24(3,4)20(31)32)23(34)29(21)12-15-5-7-16(25)8-6-15/h5-11,14H,12-13H2,1-4H3,(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	7	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))	BDBM183231 (US9150546, I-401 | US9688643, I-401 | US9718790, I...) Show SMILES CC(C)Oc1ccc(cc1Cl)\N=c1/[nH]c(=O)n(CC(C)(C)C(O)=O)c(=O)n1Cc1ccc(Cl)cc1 Show InChI InChI=1S/C24H26Cl2N4O5/c1-14(2)35-19-10-9-17(11-18(19)26)27-21-28-22(33)30(13-24(3,4)20(31)32)23(34)29(21)12-15-5-7-16(25)8-6-15/h5-11,14H,12-13H2,1-4H3,(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	7	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