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BDBM50430005 CHEMBL1234956::FR258900

SMILES: OC(=O)C[C@H](OC(=O)\C=C\c1ccc(O)cc1)[C@@H](OC(=O)\C=C\c1ccc(O)cc1)C(O)=O

InChI Key: InChIKey=VJLMRHSHSNLOGC-LIRQUGAKNA-N

Data: 1 KI  1 IC50

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 2 hits for monomerid = 50430005   
Target
(Institution)
LigandTarget
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))
BDBM50430005
PNG
(CHEMBL1234956 | FR258900)
Show SMILES OC(=O)C[C@H](OC(=O)\C=C\c1ccc(O)cc1)[C@@H](OC(=O)\C=C\c1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1/C23H20O10/c24-16-7-1-14(2-8-16)5-11-20(28)32-18(13-19(26)27)22(23(30)31)33-21(29)12-6-15-3-9-17(25)10-4-15/h1-12,18,22,24-25H,13H2,(H,26,27)(H,30,31)/b11-5+,12-6+/t18-,22+/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem
AffyNet 
PDB
Article
PubMed
460n/an/an/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle glycogen phosphorylase


Bioorg Med Chem Lett 23: 1789-92 (2013)

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


(Homo sapiens (human))
BDBM50430005
PNG
(CHEMBL1234956 | FR258900)
Show SMILES OC(=O)C[C@H](OC(=O)\C=C\c1ccc(O)cc1)[C@@H](OC(=O)\C=C\c1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1/C23H20O10/c24-16-7-1-14(2-8-16)5-11-20(28)32-18(13-19(26)27)22(23(30)31)33-21(29)12-6-15-3-9-17(25)10-4-15/h1-12,18,22,24-25H,13H2,(H,26,27)(H,30,31)/b11-5+,12-6+/t18-,22+/s2
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem
AffyNet 
Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase


Bioorg Med Chem Lett 23: 1789-92 (2013)

More data for this
Ligand-Target Pair