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BDBM50256267 2-(3-(3-mesitylureido)-2-naphthamido)-2-propylpentanoic acid::CHEMBL472319

SMILES: CCCC(CCC)(NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O

InChI Key: InChIKey=ZUMUBJHONGJAGF-UHFFFAOYSA-N

Data: 3 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50256267   
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))
BDBM50256267
PNG
(2-(3-(3-mesitylureido)-2-naphthamido)-2-propylpent...)
Show SMILES CCCC(CCC)(NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O
Show InChI InChI=1S/C29H35N3O4/c1-6-12-29(13-7-2,27(34)35)32-26(33)23-16-21-10-8-9-11-22(21)17-24(23)30-28(36)31-25-19(4)14-18(3)15-20(25)5/h8-11,14-17H,6-7,12-13H2,1-5H3,(H,32,33)(H,34,35)(H2,30,31,36)
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Article
PubMed
n/an/a 732n/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
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50256267
PNG
(2-(3-(3-mesitylureido)-2-naphthamido)-2-propylpent...)
Show SMILES CCCC(CCC)(NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O
Show InChI InChI=1S/C29H35N3O4/c1-6-12-29(13-7-2,27(34)35)32-26(33)23-16-21-10-8-9-11-22(21)17-24(23)30-28(36)31-25-19(4)14-18(3)15-20(25)5/h8-11,14-17H,6-7,12-13H2,1-5H3,(H,32,33)(H,34,35)(H2,30,31,36)
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Article
PubMed
n/an/a>3.30E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


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))
BDBM50256267
PNG
(2-(3-(3-mesitylureido)-2-naphthamido)-2-propylpent...)
Show SMILES CCCC(CCC)(NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O
Show InChI InChI=1S/C29H35N3O4/c1-6-12-29(13-7-2,27(34)35)32-26(33)23-16-21-10-8-9-11-22(21)17-24(23)30-28(36)31-25-19(4)14-18(3)15-20(25)5/h8-11,14-17H,6-7,12-13H2,1-5H3,(H,32,33)(H,34,35)(H2,30,31,36)
PDB
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Reactome pathway
KEGG

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.52E+3n/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