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BDBM50056289 CHEMBL3322337

SMILES: CC(C)c1ccc(\C=C\C(=O)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1

InChI Key: InChIKey=OPYZIUIJGFRFFX-WVMQCIMONA-N

Data: 1 KI

PDB links: 1 PDB ID matches this monomer.

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 1 hit for monomerid = 50056289   
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
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50056289
PNG
(CHEMBL3322337)
Show SMILES CC(C)c1ccc(\C=C\C(=O)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1/C18H25NO6/c1-10(2)12-6-3-11(4-7-12)5-8-14(21)19-18-17(24)16(23)15(22)13(9-20)25-18/h3-8,10,13,15-18,20,22-24H,9H2,1-2H3,(H,19,21)/b8-5+/t13-,15-,16+,17-,18-/s2
PDB
MMDB

KEGG

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DrugBank
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CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
4.98E+3n/an/an/an/an/an/an/an/a



University of Thessaly

Curated by ChEMBL


Assay Description
Inhibition of rabbit skeletal muscle glycogen phosphorylase b assessed as inorganic phosphate release


Bioorg Med Chem 22: 4810-25 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)