BDBM231659 DEtDA (10)

SMILES: C[C@@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](OC2CCN(CCN)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=OSEJTCCYOXKUBA-ZVOBLZRGSA-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 = 231659   

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))	BDBM231659 (DEtDA (10)) Show SMILES C[C@@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](OC2CCN(CCN)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:56| Show InChI InChI=1S/C43H70N2O12/c1-23-21-45(15-13-44)14-10-36(52-23)56-39-24(2)54-38(20-33(39)47)57-40-25(3)53-37(19-32(40)46)55-28-8-11-41(4)27(17-28)6-7-30-31(41)18-34(48)42(5)29(9-12-43(30,42)50)26-16-35(49)51-22-26/h16,23-25,27-34,36-40,46-48,50H,6-15,17-22,44H2,1-5H3/t23?,24-,25-,27?,28-,29+,30?,31?,32-,33-,34-,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	16.7	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))	BDBM231659 (DEtDA (10)) Show SMILES C[C@@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](OC2CCN(CCN)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:56| Show InChI InChI=1S/C43H70N2O12/c1-23-21-45(15-13-44)14-10-36(52-23)56-39-24(2)54-38(20-33(39)47)57-40-25(3)53-37(19-32(40)46)55-28-8-11-41(4)27(17-28)6-7-30-31(41)18-34(48)42(5)29(9-12-43(30,42)50)26-16-35(49)51-22-26/h16,23-25,27-34,36-40,46-48,50H,6-15,17-22,44H2,1-5H3/t23?,24-,25-,27?,28-,29+,30?,31?,32-,33-,34-,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	69	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