Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'P2X purinoceptor 4' and Ligand = 'BDBM393615'   

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 4 (Homo sapiens (Human))	BDBM393615 (US09969700, 173) Show SMILES Clc1ccccc1CS(=O)(=O)Nc1ccc(cc1)N1c2ccc3ccccc3c2NC(=O)CC1=O Show InChI InChI=1S/C26H20ClN3O4S/c27-22-8-4-2-6-18(22)16-35(33,34)29-19-10-12-20(13-11-19)30-23-14-9-17-5-1-3-7-21(17)26(23)28-24(31)15-25(30)32/h1-14,29H,15-16H2,(H,28,31)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Antagonist activity at human P2X4 receptor expressed in HEK cells assessed as reduction in ATP induced calcium influx				J Med Chem 62: 11194-11217 (2019) Article DOI: 10.1021/acs.jmedchem.9b01304 BindingDB Entry DOI: 10.7270/Q2M048RW
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM393615 (US09969700, 173) Show SMILES Clc1ccccc1CS(=O)(=O)Nc1ccc(cc1)N1c2ccc3ccccc3c2NC(=O)CC1=O Show InChI InChI=1S/C26H20ClN3O4S/c27-22-8-4-2-6-18(22)16-35(33,34)29-19-10-12-20(13-11-19)30-23-14-9-17-5-1-3-7-21(17)26(23)28-24(31)15-25(30)32/h1-14,29H,15-16H2,(H,28,31)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Antagonist activity at human P2X4 receptor tranfected in human 1321N1 cells assessed as inhibition of ATP-induced calcium influx incubated for 15 min...				J Med Chem 62: 11194-11217 (2019) Article DOI: 10.1021/acs.jmedchem.9b01304 BindingDB Entry DOI: 10.7270/Q2M048RW
					More data for this Ligand-Target Pair
P2X purinoceptor 4 (Homo sapiens (Human))	BDBM393615 (US09969700, 173) Show SMILES Clc1ccccc1CS(=O)(=O)Nc1ccc(cc1)N1c2ccc3ccccc3c2NC(=O)CC1=O Show InChI InChI=1S/C26H20ClN3O4S/c27-22-8-4-2-6-18(22)16-35(33,34)29-19-10-12-20(13-11-19)30-23-14-9-17-5-1-3-7-21(17)26(23)28-24(31)15-25(30)32/h1-14,29H,15-16H2,(H,28,31)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Universita del Piemonte Orientale					Assay Description The P2X4 receptor antagonist activity of the compounds of the present invention was measured as follows. The 1321N1 cells stably expressing human P2X...				J Med Chem 52: 3001-9 (2009) BindingDB Entry DOI: 10.7270/Q2542QX3
					More data for this Ligand-Target Pair