null

SMILES: C[C@@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](OC2CCN(CC3CC3)CC(C)O2)[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

InChI Key: InChIKey=ONAUXUUPVFWATH-LJYOIAAWSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 444975   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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-3 (Homo sapiens (Human))	BDBM444975 (US10668094, Compound DMcP-(cyclic) | US10668094, C...) Show SMILES C[C@@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](OC2CCN(CC3CC3)CC(C)O2)[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/c1-24-21-46(22-27-6-7-27)15-12-38(53-24)57-41-25(2)55-40(20-35(41)48)58-42-26(3)54-39(19-34(42)47)56-30-10-13-43(4)29(17-30)8-9-32-33(43)18-36(49)44(5)31(11-14-45(32,44)51)28-16-37(50)52-23-28/h16,24-27,29-36,38-42,47-49,51H,6-15,17-23H2,1-5H3/t24?,25-,26-,29?,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	3.70	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-1 (Homo sapiens (Human))	BDBM444975 (US10668094, Compound DMcP-(cyclic) | US10668094, C...) Show SMILES C[C@@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](OC2CCN(CC3CC3)CC(C)O2)[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/c1-24-21-46(22-27-6-7-27)15-12-38(53-24)57-41-25(2)55-40(20-35(41)48)58-42-26(3)54-39(19-34(42)47)56-30-10-13-43(4)29(17-30)8-9-32-33(43)18-36(49)44(5)31(11-14-45(32,44)51)28-16-37(50)52-23-28/h16,24-27,29-36,38-42,47-49,51H,6-15,17-23H2,1-5H3/t24?,25-,26-,29?,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	4.20	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-3 (Homo sapiens (Human))	BDBM444975 (US10668094, Compound DMcP-(cyclic) | US10668094, C...) Show SMILES C[C@@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](OC2CCN(CC3CC3)CC(C)O2)[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/c1-24-21-46(22-27-6-7-27)15-12-38(53-24)57-41-25(2)55-40(20-35(41)48)58-42-26(3)54-39(19-34(42)47)56-30-10-13-43(4)29(17-30)8-9-32-33(43)18-36(49)44(5)31(11-14-45(32,44)51)28-16-37(50)52-23-28/h16,24-27,29-36,38-42,47-49,51H,6-15,17-23H2,1-5H3/t24?,25-,26-,29?,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	4.30	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))	BDBM444975 (US10668094, Compound DMcP-(cyclic) | US10668094, C...) Show SMILES C[C@@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](OC2CCN(CC3CC3)CC(C)O2)[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/c1-24-21-46(22-27-6-7-27)15-12-38(53-24)57-41-25(2)55-40(20-35(41)48)58-42-26(3)54-39(19-34(42)47)56-30-10-13-43(4)29(17-30)8-9-32-33(43)18-36(49)44(5)31(11-14-45(32,44)51)28-16-37(50)52-23-28/h16,24-27,29-36,38-42,47-49,51H,6-15,17-23H2,1-5H3/t24?,25-,26-,29?,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	5.40	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))	BDBM444975 (US10668094, Compound DMcP-(cyclic) | US10668094, C...) Show SMILES C[C@@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](OC2CCN(CC3CC3)CC(C)O2)[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/c1-24-21-46(22-27-6-7-27)15-12-38(53-24)57-41-25(2)55-40(20-35(41)48)58-42-26(3)54-39(19-34(42)47)56-30-10-13-43(4)29(17-30)8-9-32-33(43)18-36(49)44(5)31(11-14-45(32,44)51)28-16-37(50)52-23-28/h16,24-27,29-36,38-42,47-49,51H,6-15,17-23H2,1-5H3/t24?,25-,26-,29?,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	8	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-1 (Homo sapiens (Human))	BDBM444975 (US10668094, Compound DMcP-(cyclic) | US10668094, C...) Show SMILES C[C@@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](OC2CCN(CC3CC3)CC(C)O2)[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/c1-24-21-46(22-27-6-7-27)15-12-38(53-24)57-41-25(2)55-40(20-35(41)48)58-42-26(3)54-39(19-34(42)47)56-30-10-13-43(4)29(17-30)8-9-32-33(43)18-36(49)44(5)31(11-14-45(32,44)51)28-16-37(50)52-23-28/h16,24-27,29-36,38-42,47-49,51H,6-15,17-23H2,1-5H3/t24?,25-,26-,29?,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	18.3	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-1/beta-1 (Homo sapiens (Human))	BDBM444975 (US10668094, Compound DMcP-(cyclic) | US10668094, C...) Show SMILES C[C@@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](OC2CCN(CC3CC3)CC(C)O2)[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/c1-24-21-46(22-27-6-7-27)15-12-38(53-24)57-41-25(2)55-40(20-35(41)48)58-42-26(3)54-39(19-34(42)47)56-30-10-13-43(4)29(17-30)8-9-32-33(43)18-36(49)44(5)31(11-14-45(32,44)51)28-16-37(50)52-23-28/h16,24-27,29-36,38-42,47-49,51H,6-15,17-23H2,1-5H3/t24?,25-,26-,29?,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	25	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-1/beta-1 (Homo sapiens (Human))	BDBM444975 (US10668094, Compound DMcP-(cyclic) | US10668094, C...) Show SMILES C[C@@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](OC2CCN(CC3CC3)CC(C)O2)[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/c1-24-21-46(22-27-6-7-27)15-12-38(53-24)57-41-25(2)55-40(20-35(41)48)58-42-26(3)54-39(19-34(42)47)56-30-10-13-43(4)29(17-30)8-9-32-33(43)18-36(49)44(5)31(11-14-45(32,44)51)28-16-37(50)52-23-28/h16,24-27,29-36,38-42,47-49,51H,6-15,17-23H2,1-5H3/t24?,25-,26-,29?,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	95.8	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