Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium/potassium-transporting ATPase subunit alpha-2/beta-2' and Ligand = 'BDBM444840'   

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-2/beta-2 (Homo sapiens (Human))	BDBM444840 (US10668094, Compound DcB-(cyclic) | US10668094, Co...) Show SMILES C[C@@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](OC2CCN(CC(C)O2)C2CCC2)[C@H](C)O1)O[C@H]1CC[C@@]2(C)C(CCC3C2C[C@H](O)[C@]2(C)[C@H](CC[C@]32O)C2=CC(=O)OC2)C1 |r,t:58| Show InChI InChI=1S/C45H71NO12/c1-24-22-46(29-7-6-8-29)16-13-38(53-24)57-41-25(2)55-40(21-35(41)48)58-42-26(3)54-39(20-34(42)47)56-30-11-14-43(4)28(18-30)9-10-32-33(43)19-36(49)44(5)31(12-15-45(32,44)51)27-17-37(50)52-23-27/h17,24-26,28-36,38-42,47-49,51H,6-16,18-23H2,1-5H3/t24?,25-,26-,28?,30-,31+,32?,33?,34-,35-,36-,38?,39-,40-,41+,42+,43-,44-,45-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yeda Research and Development Co. Ltd. US Patent					Assay Description To screen for isoform selectivity of the digoxin derivatives we compared inhibition of Na,K-ATPase activity of purified detergent-soluble human isofo...				US Patent US10668094 (2020) BindingDB Entry DOI: 10.7270/Q2FX7DH9
					More data for this Ligand-Target Pair
Sodium/potassium-transporting ATPase subunit alpha-2/beta-2 (Homo sapiens (Human))	BDBM444840 (US10668094, Compound DcB-(cyclic) | US10668094, Co...) Show SMILES C[C@@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](OC2CCN(CC(C)O2)C2CCC2)[C@H](C)O1)O[C@H]1CC[C@@]2(C)C(CCC3C2C[C@H](O)[C@]2(C)[C@H](CC[C@]32O)C2=CC(=O)OC2)C1 |r,t:58| Show InChI InChI=1S/C45H71NO12/c1-24-22-46(29-7-6-8-29)16-13-38(53-24)57-41-25(2)55-40(21-35(41)48)58-42-26(3)54-39(20-34(42)47)56-30-11-14-43(4)28(18-30)9-10-32-33(43)19-36(49)44(5)31(12-15-45(32,44)51)27-17-37(50)52-23-27/h17,24-26,28-36,38-42,47-49,51H,6-16,18-23H2,1-5H3/t24?,25-,26-,28?,30-,31+,32?,33?,34-,35-,36-,38?,39-,40-,41+,42+,43-,44-,45-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yeda Research and Development Co. Ltd. US Patent					Assay Description To screen for isoform selectivity of the digoxin derivatives we compared inhibition of Na,K-ATPase activity of purified detergent-soluble human isofo...				US Patent US10668094 (2020) BindingDB Entry DOI: 10.7270/Q2FX7DH9
					More data for this Ligand-Target Pair