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BDBM50256268 1-(3-(3-mesitylureido)-2-naphthamido)cyclopropanecarboxylic acid::CHEMBL480367

SMILES: Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NC2(CC2)C(O)=O)c(C)c1

InChI Key: InChIKey=WLQGUZDUFXQXRB-UHFFFAOYSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50256268   
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))
BDBM50256268
PNG
(1-(3-(3-mesitylureido)-2-naphthamido)cyclopropanec...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NC2(CC2)C(O)=O)c(C)c1
Show InChI InChI=1S/C25H25N3O4/c1-14-10-15(2)21(16(3)11-14)27-24(32)26-20-13-18-7-5-4-6-17(18)12-19(20)22(29)28-25(8-9-25)23(30)31/h4-7,10-13H,8-9H2,1-3H3,(H,28,29)(H,30,31)(H2,26,27,32)
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Article
PubMed
n/an/a 720n/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))
BDBM50256268
PNG
(1-(3-(3-mesitylureido)-2-naphthamido)cyclopropanec...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NC2(CC2)C(O)=O)c(C)c1
Show InChI InChI=1S/C25H25N3O4/c1-14-10-15(2)21(16(3)11-14)27-24(32)26-20-13-18-7-5-4-6-17(18)12-19(20)22(29)28-25(8-9-25)23(30)31/h4-7,10-13H,8-9H2,1-3H3,(H,28,29)(H,30,31)(H2,26,27,32)
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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))
BDBM50256268
PNG
(1-(3-(3-mesitylureido)-2-naphthamido)cyclopropanec...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)NC2(CC2)C(O)=O)c(C)c1
Show InChI InChI=1S/C25H25N3O4/c1-14-10-15(2)21(16(3)11-14)27-24(32)26-20-13-18-7-5-4-6-17(18)12-19(20)22(29)28-25(8-9-25)23(30)31/h4-7,10-13H,8-9H2,1-3H3,(H,28,29)(H,30,31)(H2,26,27,32)
PDB
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KEGG

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PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 9.02E+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