Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 3' and Ligand = 'BDBM183166'   

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))	BDBM183166 (US9150546, I-326 | US9688643, I-326 | US9718790, I...) Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CCCNC(C)=O)c(=O)n2Cc2ccc(Cl)cc2)cc1F Show InChI InChI=1S/C24H27ClFN5O4/c1-15(2)35-21-10-9-19(13-20(21)26)28-22-29-23(33)30(12-4-11-27-16(3)32)24(34)31(22)14-17-5-7-18(25)8-6-17/h5-10,13,15H,4,11-12,14H2,1-3H3,(H,27,32)(H,28,29,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11	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))	BDBM183166 (US9150546, I-326 | US9688643, I-326 | US9718790, I...) Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CCCNC(C)=O)c(=O)n2Cc2ccc(Cl)cc2)cc1F Show InChI InChI=1S/C24H27ClFN5O4/c1-15(2)35-21-10-9-19(13-20(21)26)28-22-29-23(33)30(12-4-11-27-16(3)32)24(34)31(22)14-17-5-7-18(25)8-6-17/h5-10,13,15H,4,11-12,14H2,1-3H3,(H,27,32)(H,28,29,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human P2X3 receptor expressed in rat C6-BU-1 cells				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127833 BindingDB Entry DOI: 10.7270/Q2V40ZXF
					More data for this Ligand-Target Pair
P2X purinoceptor 3 (Homo sapiens (Human))	BDBM183166 (US9150546, I-326 | US9688643, I-326 | US9718790, I...) Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CCCNC(C)=O)c(=O)n2Cc2ccc(Cl)cc2)cc1F Show InChI InChI=1S/C24H27ClFN5O4/c1-15(2)35-21-10-9-19(13-20(21)26)28-22-29-23(33)30(12-4-11-27-16(3)32)24(34)31(22)14-17-5-7-18(25)8-6-17/h5-10,13,15H,4,11-12,14H2,1-3H3,(H,27,32)(H,28,29,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11	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))	BDBM183166 (US9150546, I-326 | US9688643, I-326 | US9718790, I...) Show SMILES CC(C)Oc1ccc(Nc2nc(=O)n(CCCNC(C)=O)c(=O)n2Cc2ccc(Cl)cc2)cc1F Show InChI InChI=1S/C24H27ClFN5O4/c1-15(2)35-21-10-9-19(13-20(21)26)28-22-29-23(33)30(12-4-11-27-16(3)32)24(34)31(22)14-17-5-7-18(25)8-6-17/h5-10,13,15H,4,11-12,14H2,1-3H3,(H,27,32)(H,28,29,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11	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