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BDBM50382962 CHEMBL2030479

SMILES: OC[C@H]1O[C@@H](NC(=O)NC(=O)c2cc3ccccc3[nH]2)[C@H](O)[C@@H](O)[C@@H]1O

InChI Key: InChIKey=KAFZFGVMCHNQST-ZHZXCYKASA-N

Data: 1 KI  1 IC50

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 2 hits for monomerid = 50382962   
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))
BDBM50382962
PNG
(CHEMBL2030479)
Show SMILES OC[C@H]1O[C@@H](NC(=O)NC(=O)c2cc3ccccc3[nH]2)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C16H19N3O7/c20-6-10-11(21)12(22)13(23)15(26-10)19-16(25)18-14(24)9-5-7-3-1-2-4-8(7)17-9/h1-5,10-13,15,17,20-23H,6H2,(H2,18,19,24,25)/t10-,11-,12+,13-,15-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Universit£ de Lyon

Curated by ChEMBL


Assay Description
Binding affinity to rabbit muscular GPb by NMR binding assay


J Med Chem 55: 1287-95 (2012)


Article DOI: 10.1021/jm201439b
BindingDB Entry DOI: 10.7270/Q21J9BS9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50382962
PNG
(CHEMBL2030479)
Show SMILES OC[C@H]1O[C@@H](NC(=O)NC(=O)c2cc3ccccc3[nH]2)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C16H19N3O7/c20-6-10-11(21)12(22)13(23)15(26-10)19-16(25)18-14(24)9-5-7-3-1-2-4-8(7)17-9/h1-5,10-13,15,17,20-23H,6H2,(H2,18,19,24,25)/t10-,11-,12+,13-,15-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
4.00E+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)


Article DOI: 10.1016/j.bmc.2014.06.058
BindingDB Entry DOI: 10.7270/Q2KS6T58
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)