Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Sodium/potassium-transporting ATPase subunit alpha-3'   

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
Sodium/potassium-transporting ATPase subunit alpha-3/beta-1 (Rattus norvegicus)	BDBM50286739 (4-((1R,3S,5S,8R,10R,11R,13R,14S,17R)-1,5,11,14-tet...) Show SMILES C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C2=CC(=O)OC2)[C@H](O)[C@H](O)[C@H]1O |r,t:33| Show InChI InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry and Institute for Therapeutics Discovery and Development, College of Pharmacy , University of Minnesota , Minneapolis , Minnesota 55414 , United States. Curated by ChEMBL					Assay Description Inhibition of recombinant rat Na+/K+-ATPase alpha3/beta1 expressed in baculovirus infected insect Sf9 cell membranes using [gamma-32P]ATP as substrat...				J Med Chem 61: 1800-1820 (2018) Article DOI: 10.1021/acs.jmedchem.7b00925 BindingDB Entry DOI: 10.7270/Q2T43WJH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sodium/potassium-transporting ATPase subunit alpha-3/beta-1 (Rattus norvegicus)	BDBM50255122 (CHEMBL4059538) Show SMILES [H][C@]12OC(C)(C)O[C@@]1([H])[C@]([H])(O[C@H]1C[C@@]3([H])OC(C)(C)OC[C@]33[C@@]4([H])[C@@H](C[C@]5(C)[C@@H](CO)CC[C@]5(O)[C@]4([H])CC[C@]3(O)C1)OCOC)O[C@@H](C)[C@@H]2OCOC |r| Show InChI InChI=1S/C36H60O13/c1-20-27(43-19-41-8)28-29(49-32(4,5)48-28)30(45-20)46-22-13-25-35(17-44-31(2,3)47-25)26-23(10-11-34(35,38)14-22)36(39)12-9-21(16-37)33(36,6)15-24(26)42-18-40-7/h20-30,37-39H,9-19H2,1-8H3/t20-,21+,22-,23+,24+,25+,26+,27-,28+,29+,30-,33+,34-,35+,36-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry and Institute for Therapeutics Discovery and Development, College of Pharmacy , University of Minnesota , Minneapolis , Minnesota 55414 , United States. Curated by ChEMBL					Assay Description Inhibition of recombinant rat Na+/K+-ATPase alpha3/beta1 expressed in baculovirus infected insect Sf9 cell membranes using [gamma-32P]ATP as substrat...				J Med Chem 61: 1800-1820 (2018) Article DOI: 10.1021/acs.jmedchem.7b00925 BindingDB Entry DOI: 10.7270/Q2T43WJH
					More data for this Ligand-Target Pair
Sodium/potassium-transporting ATPase subunit alpha-3/beta-1 (Rattus norvegicus)	BDBM50255109 (CHEMBL4081196) Show SMILES [H][C@@]12CC[C@]3(O)C[C@@H](O)C[C@@H](O)[C@]3(CO)[C@@]1([H])[C@H](O)C[C@]1(C)[C@H](CC[C@]21O)c1cn(Cc2ccccc2)nn1 |r| Show InChI InChI=1S/C28H39N3O6/c1-25-13-22(34)24-20(7-9-26(36)12-18(33)11-23(35)27(24,26)16-32)28(25,37)10-8-19(25)21-15-31(30-29-21)14-17-5-3-2-4-6-17/h2-6,15,18-20,22-24,32-37H,7-14,16H2,1H3/t18-,19+,20+,22+,23+,24+,25+,26-,27+,28-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry and Institute for Therapeutics Discovery and Development, College of Pharmacy , University of Minnesota , Minneapolis , Minnesota 55414 , United States. Curated by ChEMBL					Assay Description Inhibition of recombinant rat Na+/K+-ATPase alpha3/beta1 expressed in baculovirus infected insect Sf9 cell membranes using [gamma-32P]ATP as substrat...				J Med Chem 61: 1800-1820 (2018) Article DOI: 10.1021/acs.jmedchem.7b00925 BindingDB Entry DOI: 10.7270/Q2T43WJH
					More data for this Ligand-Target Pair
Sodium/potassium-transporting ATPase subunit alpha-3/beta-1 (Rattus norvegicus)	BDBM50255111 (CHEMBL4092961) Show SMILES [H][C@@]12C[C@@H](C[C@@]3(O)CC[C@]4([H])[C@]([H])([C@@H](C[C@]5(C)[C@@H](CO)CC[C@]45OCOC)OCOC)[C@@]13COC(C)(C)O2)OCOC |r| Show InChI InChI=1S/C29H50O10/c1-25(2)37-15-28-23(39-25)11-20(35-16-32-4)12-27(28,31)9-8-21-24(28)22(36-17-33-5)13-26(3)19(14-30)7-10-29(21,26)38-18-34-6/h19-24,30-31H,7-18H2,1-6H3/t19-,20+,21-,22-,23-,24-,26-,27+,28-,29+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry and Institute for Therapeutics Discovery and Development, College of Pharmacy , University of Minnesota , Minneapolis , Minnesota 55414 , United States. Curated by ChEMBL					Assay Description Inhibition of recombinant rat Na+/K+-ATPase alpha3/beta1 expressed in baculovirus infected insect Sf9 cell membranes using [gamma-32P]ATP as substrat...				J Med Chem 61: 1800-1820 (2018) Article DOI: 10.1021/acs.jmedchem.7b00925 BindingDB Entry DOI: 10.7270/Q2T43WJH
					More data for this Ligand-Target Pair