BDBM231653 DGlyN (4)

SMILES: C[C@@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](OC2CCN(CC(N)=O)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=NFPQOMSVTLJQCR-LTNGJMNCSA-N

Data: 2 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 2 hits for monomerid = 231653   

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 alpha2beta1 (Homo sapiens (Human))	BDBM231653 (DGlyN (4)) 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(N)=O)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:57| Show InChI InChI=1S/C43H68N2O13/c1-22-19-45(20-34(44)49)13-10-36(53-22)57-39-23(2)55-38(18-32(39)47)58-40-24(3)54-37(17-31(40)46)56-27-8-11-41(4)26(15-27)6-7-29-30(41)16-33(48)42(5)28(9-12-43(29,42)51)25-14-35(50)52-21-25/h14,22-24,26-33,36-40,46-48,51H,6-13,15-21H2,1-5H3,(H2,44,49)/t22?,23-,24-,26?,27-,28+,29?,30?,31-,32-,33-,36?,37-,38-,39+,40+,41-,42-,43-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20.4	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))	BDBM231653 (DGlyN (4)) 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(N)=O)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:57| Show InChI InChI=1S/C43H68N2O13/c1-22-19-45(20-34(44)49)13-10-36(53-22)57-39-23(2)55-38(18-32(39)47)58-40-24(3)54-37(17-31(40)46)56-27-8-11-41(4)26(15-27)6-7-29-30(41)16-33(48)42(5)28(9-12-43(29,42)51)25-14-35(50)52-21-25/h14,22-24,26-33,36-40,46-48,51H,6-13,15-21H2,1-5H3,(H2,44,49)/t22?,23-,24-,26?,27-,28+,29?,30?,31-,32-,33-,36?,37-,38-,39+,40+,41-,42-,43-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	152	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