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BDBM50256391 1-(ethoxycarbonyl)-4-(3-(3-mesitylureido)-2-naphthamido)piperidine-4-carboxylic acid::CHEMBL519787

SMILES: CCOC(=O)N1CCC(CC1)(NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O

InChI Key: InChIKey=VHBBOCHQPJCAGP-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50256391   
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))
BDBM50256391
PNG
(1-(ethoxycarbonyl)-4-(3-(3-mesitylureido)-2-naphth...)
Show SMILES CCOC(=O)N1CCC(CC1)(NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O
Show InChI InChI=1S/C30H34N4O6/c1-5-40-29(39)34-12-10-30(11-13-34,27(36)37)33-26(35)23-16-21-8-6-7-9-22(21)17-24(23)31-28(38)32-25-19(3)14-18(2)15-20(25)4/h6-9,14-17H,5,10-13H2,1-4H3,(H,33,35)(H,36,37)(H2,31,32,38)
PDB
MMDB

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PC sid
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A in HepG2 cells assessed as forskolin-induced glycogenolysis


Bioorg Med Chem Lett 19: 976-80 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.085
BindingDB Entry DOI: 10.7270/Q26T0MGG
More data for this
Ligand-Target Pair
Glycogen Phosphorylase (PYGL)


(Homo sapiens (Human))
BDBM50256391
PNG
(1-(ethoxycarbonyl)-4-(3-(3-mesitylureido)-2-naphth...)
Show SMILES CCOC(=O)N1CCC(CC1)(NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O
Show InChI InChI=1S/C30H34N4O6/c1-5-40-29(39)34-12-10-30(11-13-34,27(36)37)33-26(35)23-16-21-8-6-7-9-22(21)17-24(23)31-28(38)32-25-19(3)14-18(2)15-20(25)4/h6-9,14-17H,5,10-13H2,1-4H3,(H,33,35)(H,36,37)(H2,31,32,38)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 970n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence intensity endpoint assay in presence of glucose


Bioorg Med Chem Lett 19: 976-80 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.085
BindingDB Entry DOI: 10.7270/Q26T0MGG
More data for this
Ligand-Target Pair