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BDBM50386283 CHEMBL2041078

SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n1cc(C#C)c(=O)[nH]c1=O

InChI Key: InChIKey=DSYJZEAWLKMMLW-VJYSWUCFNA-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 = 50386283   
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))
BDBM50386283
PNG
(CHEMBL2041078)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n1cc(C#C)c(=O)[nH]c1=O |r|
Show InChI InChI=1/C12H14N2O7/c1-2-5-3-14(12(20)13-10(5)19)11-9(18)8(17)7(16)6(4-15)21-11/h1,3,6-9,11,15-18H,4H2,(H,13,19,20)/t6-,7-,8+,9-,11-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PDB
Article
PubMed
4.70E+3n/an/an/an/an/an/an/an/a



University of Thessaly

Curated by ChEMBL


Assay Description
Competitive inhibition of rabbit skeletal muscle glycogen phosphorylase b using Glc-1-P as substrate


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Muscle glycogen phosphorylase


(Homo sapiens)
BDBM50386283
PNG
(CHEMBL2041078)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)n1cc(C#C)c(=O)[nH]c1=O |r|
Show InChI InChI=1/C12H14N2O7/c1-2-5-3-14(12(20)13-10(5)19)11-9(18)8(17)7(16)6(4-15)21-11/h1,3,6-9,11,15-18H,4H2,(H,13,19,20)/t6-,7-,8+,9-,11-/s2
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PDB
Article
PubMed
n/an/a 2.91E+5n/an/an/an/an/an/a



University of Thessaly

Curated by ChEMBL


Assay Description
Inhibition of glycogen phosphorylase b in human HepG2 cells after 3 hrs


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)