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BDBM50295859 (2S,3R,4R,5S,6R)-2-(1H-benzo[d]imidazol-2-yl)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol::CHEMBL558445

SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1nc2ccccc2[nH]1

InChI Key: InChIKey=XEMMGXXVANKOFH-WLEIBRHLNA-N

Data: 3 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 6 hits for monomerid = 50295859   
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))
BDBM50295859
PNG
((2S,3R,4R,5S,6R)-2-(1H-benzo[d]imidazol-2-yl)-6-(h...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1/C13H16N2O5/c16-5-8-9(17)10(18)11(19)12(20-8)13-14-6-3-1-2-4-7(6)15-13/h1-4,8-12,16-19H,5H2,(H,14,15)/t8-,9-,10+,11-,12-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PDB
Article
PubMed
9.00E+3n/an/an/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle glycogen phosphorylase b


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50295859
PNG
((2S,3R,4R,5S,6R)-2-(1H-benzo[d]imidazol-2-yl)-6-(h...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1/C13H16N2O5/c16-5-8-9(17)10(18)11(19)12(20-8)13-14-6-3-1-2-4-7(6)15-13/h1-4,8-12,16-19H,5H2,(H,14,15)/t8-,9-,10+,11-,12-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PDB
Article
9.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of rabbit muscle glycogen phosphorylase b


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50295859
PNG
((2S,3R,4R,5S,6R)-2-(1H-benzo[d]imidazol-2-yl)-6-(h...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1/C13H16N2O5/c16-5-8-9(17)10(18)11(19)12(20-8)13-14-6-3-1-2-4-7(6)15-13/h1-4,8-12,16-19H,5H2,(H,14,15)/t8-,9-,10+,11-,12-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PDB
Article
PubMed
9.00E+3n/an/an/an/an/an/an/an/a



Department of Organic Chemistry, University of Debrecen , POB 20, H-4010 Debrecen, Hungary.

Curated by ChEMBL


Assay Description
Competitive inhibition of rabbit muscle glycogen phosphorylase-b using glucose-1-phosphate as substrate preincubated with glycogen for 15 mins follow...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50295859
PNG
((2S,3R,4R,5S,6R)-2-(1H-benzo[d]imidazol-2-yl)-6-(h...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1/C13H16N2O5/c16-5-8-9(17)10(18)11(19)12(20-8)13-14-6-3-1-2-4-7(6)15-13/h1-4,8-12,16-19H,5H2,(H,14,15)/t8-,9-,10+,11-,12-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PDB
Article
PubMed
9.00E+3n/an/an/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle glycogen phosphorylase b


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50295859
PNG
((2S,3R,4R,5S,6R)-2-(1H-benzo[d]imidazol-2-yl)-6-(h...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1/C13H16N2O5/c16-5-8-9(17)10(18)11(19)12(20-8)13-14-6-3-1-2-4-7(6)15-13/h1-4,8-12,16-19H,5H2,(H,14,15)/t8-,9-,10+,11-,12-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

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PDB
Article
PubMed
1.10E+4n/an/an/an/an/an/an/an/a



Department of Organic Chemistry, University of Debrecen , POB 20, H-4010 Debrecen, Hungary.

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle glycogen phosphorylase-b


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50295859
PNG
((2S,3R,4R,5S,6R)-2-(1H-benzo[d]imidazol-2-yl)-6-(h...)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1nc2ccccc2[nH]1 |r|
Show InChI InChI=1/C13H16N2O5/c16-5-8-9(17)10(18)11(19)12(20-8)13-14-6-3-1-2-4-7(6)15-13/h1-4,8-12,16-19H,5H2,(H,14,15)/t8-,9-,10+,11-,12-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
PDB
Article
PubMed
n/an/a 8.60E+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


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