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BDBM50246051 (2R,3S,4aR,5aS,6aR,8S,9R,10aS,11aR,13aS)-9-Benzyloxy-8-benzyloxymethyl-2-hydroxymethyl-11a-methyl-tetradecahydro-1,5,7,11-tetraoxa-benzo[4,5]cyclohepta[1,2-b]naphthalen-3-ol::CHEMBL506695

SMILES: C[C@@]12CC[C@@H]3O[C@H](CO)[C@@H](O)C[C@H]3O[C@H]1C[C@H]1O[C@@H](COCc3ccccc3)[C@@H](C[C@@H]1O2)OCc1ccccc1

InChI Key: InChIKey=VLNBZMHGZQGBCZ-LTAGUNENSA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50246051   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Glycophorin-A


(Homo sapiens (Human))		BDBM50246051
PNG
((2R,3S,4aR,5aS,6aR,8S,9R,10aS,11aR,13aS)-9-Benzylo...)
Show SMILES C[C@@]12CC[C@@H]3O[C@H](CO)[C@@H](O)C[C@H]3O[C@H]1C[C@H]1O[C@@H](COCc3ccccc3)[C@@H](C[C@@H]1O2)OCc1ccccc1 |r|
Show InChI InChI=1S/C32H42O8/c1-32-13-12-24-26(14-23(34)29(17-33)37-24)39-31(32)16-27-28(40-32)15-25(36-19-22-10-6-3-7-11-22)30(38-27)20-35-18-21-8-4-2-5-9-21/h2-11,23-31,33-34H,12-20H2,1H3/t23-,24-,25+,26+,27+,28-,29+,30-,31-,32+/m0/s1
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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Similars
Article
PubMed
n/an/an/a 2.40E+5n/an/an/an/an/a



Osaka University

Curated by ChEMBL


Assay Description
Binding affinity to transmembrane alpha-helix of glycophorin A by surface plasmon resonance method

Bioorg Med Chem Lett 18: 6115-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.020
BindingDB Entry DOI: 10.7270/Q2P55PFJ
More data for this
Ligand-Target Pair