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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glycogen phosphorylase, brain form' and Ligand = 'BDBM50057731'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glycogen phosphorylase, brain form


(Homo sapiens (Human))
BDBM50057731
PNG
((2-Carbamoyl-3,4,5-trihydroxy-6-hydroxymethyl-tetr...)
Show SMILES COC(=O)N[C@@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(N)=O |r|
Show InChI InChI=1S/C9H16N2O8/c1-18-8(17)11-9(7(10)16)6(15)5(14)4(13)3(2-12)19-9/h3-6,12-15H,2H2,1H3,(H2,10,16)(H,11,17)/t3-,4-,5+,6-,9+/m1/s1
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PC sid
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Similars

Article
PubMed
1.58E+4n/an/an/an/an/an/an/an/a



Philipps-Universit£t Marburg

Curated by ChEMBL


Assay Description
Inhibitory activity against Pig Skeletal Glycogen Phosphorylase b


J Med Chem 45: 4153-70 (2002)


Article DOI: 10.1021/jm020808p
BindingDB Entry DOI: 10.7270/Q2KH0R3H
More data for this
Ligand-Target Pair
Glycogen phosphorylase, brain form


(Homo sapiens (Human))
BDBM50057731
PNG
((2-Carbamoyl-3,4,5-trihydroxy-6-hydroxymethyl-tetr...)
Show SMILES COC(=O)N[C@@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(N)=O |r|
Show InChI InChI=1S/C9H16N2O8/c1-18-8(17)11-9(7(10)16)6(15)5(14)4(13)3(2-12)19-9/h3-6,12-15H,2H2,1H3,(H2,10,16)(H,11,17)/t3-,4-,5+,6-,9+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
1.60E+4n/an/an/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of rabbit glycogen phosphorylase B enzyme


J Med Chem 40: 1455-64 (1997)


Article DOI: 10.1021/jm9608016
BindingDB Entry DOI: 10.7270/Q26T0N9N
More data for this
Ligand-Target Pair