BDBM231650 DOH (1)

SMILES: C[C@@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](OC2CCN(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=FBQSRPQVIDAAJA-HPSUNDCVSA-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 = 231650   

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))	BDBM231650 (DOH (1)) Show SMILES C[C@@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](OC2CCN(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:54| Show InChI InChI=1S/C41H65NO13/c1-21-19-42(48)13-10-34(50-21)54-37-22(2)52-36(18-31(37)44)55-38-23(3)51-35(17-30(38)43)53-26-8-11-39(4)25(15-26)6-7-28-29(39)16-32(45)40(5)27(9-12-41(28,40)47)24-14-33(46)49-20-24/h14,21-23,25-32,34-38,43-45,47-48H,6-13,15-20H2,1-5H3/t21?,22-,23-,25?,26-,27+,28?,29?,30-,31-,32-,34?,35-,36-,37+,38+,39-,40-,41-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	134	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))	BDBM231650 (DOH (1)) Show SMILES C[C@@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](OC2CCN(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:54| Show InChI InChI=1S/C41H65NO13/c1-21-19-42(48)13-10-34(50-21)54-37-22(2)52-36(18-31(37)44)55-38-23(3)51-35(17-30(38)43)53-26-8-11-39(4)25(15-26)6-7-28-29(39)16-32(45)40(5)27(9-12-41(28,40)47)24-14-33(46)49-20-24/h14,21-23,25-32,34-38,43-45,47-48H,6-13,15-20H2,1-5H3/t21?,22-,23-,25?,26-,27+,28?,29?,30-,31-,32-,34?,35-,36-,37+,38+,39-,40-,41-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	311	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