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BDBM50194702 (3R,4R,5R)-5-(HYDROXYMETHYL)-1-(3-PHENYLPROPYL)PIPERIDINE-3,4-DIOL::(3R,4R,5R)-5-hydroxymethyl-1-(3-phenylpropyl)-3,4-piperidinediol::CHEMBL213661

SMILES: OC[C@H]1CN(CCCc2ccccc2)C[C@@H](O)[C@@H]1O

InChI Key: InChIKey=NKARZGURZMIRMA-RBSFLKMASA-N

Data: 3 IC50

PDB links: 2 PDB IDs match 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 3 hits for monomerid = 50194702   
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
Liver glycogen phosphorylase


(Rattus norvegicus)
BDBM50194702
PNG
((3R,4R,5R)-5-(HYDROXYMETHYL)-1-(3-PHENYLPROPYL)PIP...)
Show SMILES OC[C@H]1CN(CCCc2ccccc2)C[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C15H23NO3/c17-11-13-9-16(10-14(18)15(13)19)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,13-15,17-19H,4,7-11H2/t13-,14-,15-/m1/s1
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Article
PubMed
n/an/a 1.22E+3n/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of phosphorylated form of rat liver glycogen phosphorylase


J Med Chem 49: 5687-701 (2006)

More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50194702
PNG
((3R,4R,5R)-5-(HYDROXYMETHYL)-1-(3-PHENYLPROPYL)PIP...)
Show SMILES OC[C@H]1CN(CCCc2ccccc2)C[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C15H23NO3/c17-11-13-9-16(10-14(18)15(13)19)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,13-15,17-19H,4,7-11H2/t13-,14-,15-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

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MMDB
PDB
Article
PubMed
n/an/a 840n/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of non-phosphorylated form of rabbit muscle glycogen phosphorylase


J Med Chem 49: 5687-701 (2006)

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


(Homo sapiens (human))
BDBM50194702
PNG
((3R,4R,5R)-5-(HYDROXYMETHYL)-1-(3-PHENYLPROPYL)PIP...)
Show SMILES OC[C@H]1CN(CCCc2ccccc2)C[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C15H23NO3/c17-11-13-9-16(10-14(18)15(13)19)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,13-15,17-19H,4,7-11H2/t13-,14-,15-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
GoogleScholar
AffyNet 
CHEMBL
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PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 850n/an/an/an/an/an/a



The National Hellenic Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of phosphorylated form of pig liver glycogen phosphorylase


J Med Chem 49: 5687-701 (2006)

More data for this
Ligand-Target Pair