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BDBM50148915 CHEMBL3770514

SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1nc(c[nH]1)-c1ccccc1

InChI Key: InChIKey=QJGQTBOHSOZKLJ-RKQHYHRCSA-N

Data: 3 KI

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 3 hits for monomerid = 50148915   
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 (PYGL)


(Homo sapiens (Human))
BDBM50148915
PNG
(CHEMBL3770514)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1nc(c[nH]1)-c1ccccc1 |r|
Show InChI InChI=1S/C15H18N2O5/c18-7-10-11(19)12(20)13(21)14(22-10)15-16-6-9(17-15)8-4-2-1-3-5-8/h1-6,10-14,18-21H,7H2,(H,16,17)/t10-,11-,12+,13-,14-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
156n/an/an/an/an/an/an/an/a



University of Thessaly

Curated by ChEMBL


Assay Description
Competitive inhibition of His6-tagged human liver glycogen phosphorylase-a expressed in Escherichia coli BL21 Gold (DE3) assessed as release of inorg...


Eur J Med Chem 123: 737-745 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.049
BindingDB Entry DOI: 10.7270/Q2TT4SXG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50148915
PNG
(CHEMBL3770514)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1nc(c[nH]1)-c1ccccc1 |r|
Show InChI InChI=1S/C15H18N2O5/c18-7-10-11(19)12(20)13(21)14(22-10)15-16-6-9(17-15)8-4-2-1-3-5-8/h1-6,10-14,18-21H,7H2,(H,16,17)/t10-,11-,12+,13-,14-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
226n/an/an/an/an/an/an/an/a



University of Thessaly

Curated by ChEMBL


Assay Description
Competitive inhibition of rabbit muscle glycogen phosphorylase-a assessed as release of inorganic phosphate using varying levels of glucose-1-phospha...


Eur J Med Chem 123: 737-745 (2016)


Article DOI: 10.1016/j.ejmech.2016.06.049
BindingDB Entry DOI: 10.7270/Q2TT4SXG
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50148915
PNG
(CHEMBL3770514)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1nc(c[nH]1)-c1ccccc1 |r|
Show InChI InChI=1S/C15H18N2O5/c18-7-10-11(19)12(20)13(21)14(22-10)15-16-6-9(17-15)8-4-2-1-3-5-8/h1-6,10-14,18-21H,7H2,(H,16,17)/t10-,11-,12+,13-,14-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

PubMed
280n/an/an/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Competitive inhibition of rabbit muscle glycogen phosphorylase-b using alpha-D-glucose-1-phosphate as substrate by Dixon plot analysis


ACS Med Chem Lett 6: 1215-9 (2015)


BindingDB Entry DOI: 10.7270/Q2W37Z56
More data for this
Ligand-Target Pair