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)C2CC2)[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=LJUOSQZLMDHEKF-DEGSDRIYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 444980   

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))	BDBM444980 (US10668094, Compound DcP-(cyclic)) 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)C2CC2)[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/C44H69NO12/c1-23-21-45(28-7-8-28)15-12-37(52-23)56-40-24(2)54-39(20-34(40)47)57-41-25(3)53-38(19-33(41)46)55-29-10-13-42(4)27(17-29)6-9-31-32(42)18-35(48)43(5)30(11-14-44(31,43)50)26-16-36(49)51-22-26/h16,23-25,27-35,37-41,46-48,50H,6-15,17-22H2,1-5H3/t23?,24-,25-,27?,29-,30+,31?,32?,33-,34-,35-,37?,38-,39-,40+,41+,42-,43-,44-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8.10	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)
					More data for this Ligand-Target Pair
Sodium/potassium-transporting ATPase subunit alpha-2/beta-2 (Homo sapiens (Human))	BDBM444980 (US10668094, Compound DcP-(cyclic)) 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)C2CC2)[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/C44H69NO12/c1-23-21-45(28-7-8-28)15-12-37(52-23)56-40-24(2)54-39(20-34(40)47)57-41-25(3)53-38(19-33(41)46)55-29-10-13-42(4)27(17-29)6-9-31-32(42)18-35(48)43(5)30(11-14-44(31,43)50)26-16-36(49)51-22-26/h16,23-25,27-35,37-41,46-48,50H,6-15,17-22H2,1-5H3/t23?,24-,25-,27?,29-,30+,31?,32?,33-,34-,35-,37?,38-,39-,40+,41+,42-,43-,44-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	13	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)
					More data for this Ligand-Target Pair
Sodium/potassium-transporting ATPase subunit alpha-2/beta-1 (Homo sapiens (Human))	BDBM444980 (US10668094, Compound DcP-(cyclic)) 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)C2CC2)[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/C44H69NO12/c1-23-21-45(28-7-8-28)15-12-37(52-23)56-40-24(2)54-39(20-34(40)47)57-41-25(3)53-38(19-33(41)46)55-29-10-13-42(4)27(17-29)6-9-31-32(42)18-35(48)43(5)30(11-14-44(31,43)50)26-16-36(49)51-22-26/h16,23-25,27-35,37-41,46-48,50H,6-15,17-22H2,1-5H3/t23?,24-,25-,27?,29-,30+,31?,32?,33-,34-,35-,37?,38-,39-,40+,41+,42-,43-,44-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	14.6	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)
					More data for this Ligand-Target Pair
Sodium/potassium-transporting ATPase subunit alpha-1/beta-1 (Homo sapiens (Human))	BDBM444980 (US10668094, Compound DcP-(cyclic)) 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)C2CC2)[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/C44H69NO12/c1-23-21-45(28-7-8-28)15-12-37(52-23)56-40-24(2)54-39(20-34(40)47)57-41-25(3)53-38(19-33(41)46)55-29-10-13-42(4)27(17-29)6-9-31-32(42)18-35(48)43(5)30(11-14-44(31,43)50)26-16-36(49)51-22-26/h16,23-25,27-35,37-41,46-48,50H,6-15,17-22H2,1-5H3/t23?,24-,25-,27?,29-,30+,31?,32?,33-,34-,35-,37?,38-,39-,40+,41+,42-,43-,44-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	109	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)
					More data for this Ligand-Target Pair