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BDBM50056288 CHEMBL3322335

SMILES: OC[C@H]1O[C@@H](NC(=O)\C=C\c2ccc(cc2)-c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O

InChI Key: InChIKey=BXIQZJVUHNZTDW-KLXRIHHNSA-N

Data: 1 KI

PDB links: 1 PDB ID matches this monomer.

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50056288   
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))
BDBM50056288
PNG
(CHEMBL3322335)
Show SMILES OC[C@H]1O[C@@H](NC(=O)\C=C\c2ccc(cc2)-c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C21H23NO6/c23-12-16-18(25)19(26)20(27)21(28-16)22-17(24)11-8-13-6-9-15(10-7-13)14-4-2-1-3-5-14/h1-11,16,18-21,23,25-27H,12H2,(H,22,24)/b11-8+/t16-,18-,19+,20-,21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
5.14E+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)