null

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)C(C)(C)C)[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=BHLQJIKCXBAVDX-KQIAMWRXSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 444990   

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))	BDBM444990 (US10668094, Compound DtB) 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)C(C)(C)C)[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:57| Show InChI InChI=1S/C45H73NO12/c1-24-22-46(42(4,5)6)16-13-37(53-24)57-40-25(2)55-39(21-34(40)48)58-41-26(3)54-38(20-33(41)47)56-29-11-14-43(7)28(18-29)9-10-31-32(43)19-35(49)44(8)30(12-15-45(31,44)51)27-17-36(50)52-23-27/h17,24-26,28-35,37-41,47-49,51H,9-16,18-23H2,1-8H3/t24?,25-,26-,28?,29-,30+,31?,32?,33-,34-,35-,37?,38-,39-,40+,41+,43-,44-,45-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	16.3	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-2/beta-2 (Homo sapiens (Human))	BDBM444990 (US10668094, Compound DtB) 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)C(C)(C)C)[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:57| Show InChI InChI=1S/C45H73NO12/c1-24-22-46(42(4,5)6)16-13-37(53-24)57-40-25(2)55-39(21-34(40)48)58-41-26(3)54-38(20-33(41)47)56-29-11-14-43(7)28(18-29)9-10-31-32(43)19-35(49)44(8)30(12-15-45(31,44)51)27-17-36(50)52-23-27/h17,24-26,28-35,37-41,47-49,51H,9-16,18-23H2,1-8H3/t24?,25-,26-,28?,29-,30+,31?,32?,33-,34-,35-,37?,38-,39-,40+,41+,43-,44-,45-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	18.4	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))	BDBM444990 (US10668094, Compound DtB) 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)C(C)(C)C)[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:57| Show InChI InChI=1S/C45H73NO12/c1-24-22-46(42(4,5)6)16-13-37(53-24)57-40-25(2)55-39(21-34(40)48)58-41-26(3)54-38(20-33(41)47)56-29-11-14-43(7)28(18-29)9-10-31-32(43)19-35(49)44(8)30(12-15-45(31,44)51)27-17-36(50)52-23-27/h17,24-26,28-35,37-41,47-49,51H,9-16,18-23H2,1-8H3/t24?,25-,26-,28?,29-,30+,31?,32?,33-,34-,35-,37?,38-,39-,40+,41+,43-,44-,45-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	21.6	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
Sodium/potassium-transporting ATPase subunit alpha-1/beta-1 (Homo sapiens (Human))	BDBM444990 (US10668094, Compound DtB) 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)C(C)(C)C)[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:57| Show InChI InChI=1S/C45H73NO12/c1-24-22-46(42(4,5)6)16-13-37(53-24)57-40-25(2)55-39(21-34(40)48)58-41-26(3)54-38(20-33(41)47)56-29-11-14-43(7)28(18-29)9-10-31-32(43)19-35(49)44(8)30(12-15-45(31,44)51)27-17-36(50)52-23-27/h17,24-26,28-35,37-41,47-49,51H,9-16,18-23H2,1-8H3/t24?,25-,26-,28?,29-,30+,31?,32?,33-,34-,35-,37?,38-,39-,40+,41+,43-,44-,45-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	135	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