BDBM231660 DMe (11)::US10668094, Compound DMe

SMILES: C[C@@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](OC2CCN(C)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=IJOBTPPMUDSRAS-NVAUYEMTSA-N

Data: 6 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 231660   

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
Na,K-ATPase alpha2beta3 (Homo sapiens (Human))	BDBM231660 (DMe (11) | US10668094, Compound DMe) Show SMILES C[C@@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](OC2CCN(C)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:54| Show InChI InChI=1S/C42H67NO12/c1-22-20-43(6)14-11-35(50-22)54-38-23(2)52-37(19-32(38)45)55-39-24(3)51-36(18-31(39)44)53-27-9-12-40(4)26(16-27)7-8-29-30(40)17-33(46)41(5)28(10-13-42(29,41)48)25-15-34(47)49-21-25/h15,22-24,26-33,35-39,44-46,48H,7-14,16-21H2,1-6H3/t22?,23-,24-,26?,27-,28+,29?,30?,31-,32-,33-,35?,36-,37-,38+,39+,40-,41-,42-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	10.8	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)
					More data for this Ligand-Target Pair
Na,K-ATPase alpha2beta1 (Homo sapiens (Human))	BDBM231660 (DMe (11) | US10668094, Compound DMe) Show SMILES C[C@@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](OC2CCN(C)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:54| Show InChI InChI=1S/C42H67NO12/c1-22-20-43(6)14-11-35(50-22)54-38-23(2)52-37(19-32(38)45)55-39-24(3)51-36(18-31(39)44)53-27-9-12-40(4)26(16-27)7-8-29-30(40)17-33(46)41(5)28(10-13-42(29,41)48)25-15-34(47)49-21-25/h15,22-24,26-33,35-39,44-46,48H,7-14,16-21H2,1-6H3/t22?,23-,24-,26?,27-,28+,29?,30?,31-,32-,33-,35?,36-,37-,38+,39+,40-,41-,42-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	15.3	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)
					More data for this Ligand-Target Pair
Na,K-ATPase alpha2beta1 (Homo sapiens (Human))	BDBM231660 (DMe (11) | US10668094, Compound DMe) Show SMILES C[C@@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](OC2CCN(C)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:54| Show InChI InChI=1S/C42H67NO12/c1-22-20-43(6)14-11-35(50-22)54-38-23(2)52-37(19-32(38)45)55-39-24(3)51-36(18-31(39)44)53-27-9-12-40(4)26(16-27)7-8-29-30(40)17-33(46)41(5)28(10-13-42(29,41)48)25-15-34(47)49-21-25/h15,22-24,26-33,35-39,44-46,48H,7-14,16-21H2,1-6H3/t22?,23-,24-,26?,27-,28+,29?,30?,31-,32-,33-,35?,36-,37-,38+,39+,40-,41-,42-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Weizmann Institute of Science					Assay Description Inhibition of Na,K-ATPase activity of the detergent-soluble α1β1, α2β1, and α3β1 complexes by CGs was done exactly as d...				J Biol Chem 289: 21153-62 (2014) Article DOI: 10.1074/jbc.M114.557629 BindingDB Entry DOI: 10.7270/Q2G44P6T
					More data for this Ligand-Target Pair
Na,K-ATPase alpha2beta2 (Homo sapiens (Human))	BDBM231660 (DMe (11) | US10668094, Compound DMe) Show SMILES C[C@@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](OC2CCN(C)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:54| Show InChI InChI=1S/C42H67NO12/c1-22-20-43(6)14-11-35(50-22)54-38-23(2)52-37(19-32(38)45)55-39-24(3)51-36(18-31(39)44)53-27-9-12-40(4)26(16-27)7-8-29-30(40)17-33(46)41(5)28(10-13-42(29,41)48)25-15-34(47)49-21-25/h15,22-24,26-33,35-39,44-46,48H,7-14,16-21H2,1-6H3/t22?,23-,24-,26?,27-,28+,29?,30?,31-,32-,33-,35?,36-,37-,38+,39+,40-,41-,42-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	20.4	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)
					More data for this Ligand-Target Pair
Na,K-ATPase alpha1beta1 (Homo sapiens (Human))	BDBM231660 (DMe (11) | US10668094, Compound DMe) Show SMILES C[C@@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](OC2CCN(C)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:54| Show InChI InChI=1S/C42H67NO12/c1-22-20-43(6)14-11-35(50-22)54-38-23(2)52-37(19-32(38)45)55-39-24(3)51-36(18-31(39)44)53-27-9-12-40(4)26(16-27)7-8-29-30(40)17-33(46)41(5)28(10-13-42(29,41)48)25-15-34(47)49-21-25/h15,22-24,26-33,35-39,44-46,48H,7-14,16-21H2,1-6H3/t22?,23-,24-,26?,27-,28+,29?,30?,31-,32-,33-,35?,36-,37-,38+,39+,40-,41-,42-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	101	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Weizmann Institute of Science					Assay Description Inhibition of Na,K-ATPase activity of the detergent-soluble α1β1, α2β1, and α3β1 complexes by CGs was done exactly as d...				J Biol Chem 289: 21153-62 (2014) Article DOI: 10.1074/jbc.M114.557629 BindingDB Entry DOI: 10.7270/Q2G44P6T
					More data for this Ligand-Target Pair
Na,K-ATPase alpha1beta1 (Homo sapiens (Human))	BDBM231660 (DMe (11) | US10668094, Compound DMe) Show SMILES C[C@@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](OC2CCN(C)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:54| Show InChI InChI=1S/C42H67NO12/c1-22-20-43(6)14-11-35(50-22)54-38-23(2)52-37(19-32(38)45)55-39-24(3)51-36(18-31(39)44)53-27-9-12-40(4)26(16-27)7-8-29-30(40)17-33(46)41(5)28(10-13-42(29,41)48)25-15-34(47)49-21-25/h15,22-24,26-33,35-39,44-46,48H,7-14,16-21H2,1-6H3/t22?,23-,24-,26?,27-,28+,29?,30?,31-,32-,33-,35?,36-,37-,38+,39+,40-,41-,42-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	103	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