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BDBM50263773 1-(2-naphthoyl)-3-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-yl)urea::CHEMBL490001::N-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-ylcarbamoyl)-2-naphthamide

SMILES: OC[C@H]1O[C@@H](NC(=O)NC(=O)c2ccc3ccccc3c2)[C@H](O)[C@@H](O)[C@@H]1O

InChI Key: InChIKey=CWTXJPICSREUOK-OWVAZHOYSA-N

Data: 5 KI

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 5 hits for monomerid = 50263773   
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))
BDBM50263773
PNG
(1-(2-naphthoyl)-3-((2R,3R,4S,5S,6R)-3,4,5-trihydro...)
Show SMILES OC[C@H]1O[C@@H](NC(=O)NC(=O)c2ccc3ccccc3c2)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C18H20N2O7/c21-8-12-13(22)14(23)15(24)17(27-12)20-18(26)19-16(25)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-15,17,21-24H,8H2,(H2,19,20,25,26)/t12-,13-,14+,15-,17-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
350n/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)

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


(Oryctolagus cuniculus (rabbit))
BDBM50263773
PNG
(1-(2-naphthoyl)-3-((2R,3R,4S,5S,6R)-3,4,5-trihydro...)
Show SMILES OC[C@H]1O[C@@H](NC(=O)NC(=O)c2ccc3ccccc3c2)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C18H20N2O7/c21-8-12-13(22)14(23)15(24)17(27-12)20-18(26)19-16(25)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-15,17,21-24H,8H2,(H2,19,20,25,26)/t12-,13-,14+,15-,17-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
350n/an/an/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle glycogen phosphorylase b


Bioorg Med Chem Lett 18: 5680-3 (2008)

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


(Oryctolagus cuniculus (rabbit))
BDBM50263773
PNG
(1-(2-naphthoyl)-3-((2R,3R,4S,5S,6R)-3,4,5-trihydro...)
Show SMILES OC[C@H]1O[C@@H](NC(=O)NC(=O)c2ccc3ccccc3c2)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C18H20N2O7/c21-8-12-13(22)14(23)15(24)17(27-12)20-18(26)19-16(25)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-15,17,21-24H,8H2,(H2,19,20,25,26)/t12-,13-,14+,15-,17-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
350n/an/an/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Inhibition of rabbit skeletal muscle glycogen phosphorylase b by Lineweaver-Burk plot method


Bioorg Med Chem 21: 5738-47 (2013)

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


(Oryctolagus cuniculus (rabbit))
BDBM50263773
PNG
(1-(2-naphthoyl)-3-((2R,3R,4S,5S,6R)-3,4,5-trihydro...)
Show SMILES OC[C@H]1O[C@@H](NC(=O)NC(=O)c2ccc3ccccc3c2)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C18H20N2O7/c21-8-12-13(22)14(23)15(24)17(27-12)20-18(26)19-16(25)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-15,17,21-24H,8H2,(H2,19,20,25,26)/t12-,13-,14+,15-,17-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
350n/an/an/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle glycogen phosphorylase b assessed as inorganic phosphate release at pH 6.8


Bioorg Med Chem 20: 1801-16 (2012)

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


(Oryctolagus cuniculus (rabbit))
BDBM50263773
PNG
(1-(2-naphthoyl)-3-((2R,3R,4S,5S,6R)-3,4,5-trihydro...)
Show SMILES OC[C@H]1O[C@@H](NC(=O)NC(=O)c2ccc3ccccc3c2)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C18H20N2O7/c21-8-12-13(22)14(23)15(24)17(27-12)20-18(26)19-16(25)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-15,17,21-24H,8H2,(H2,19,20,25,26)/t12-,13-,14+,15-,17-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
350n/an/an/an/an/an/an/an/a



University of Debrecen

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle glycogen phosphorylase b


Bioorg Med Chem 17: 4773-85 (2009)

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