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BDBM50255977 (S)-2-cyclohexyl-2-(3-(3-mesitylureido)-2-naphthamido)acetic acid::CHEMBL472140

SMILES: Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@H](C2CCCCC2)C(O)=O)c(C)c1

InChI Key: InChIKey=LZSPMCXLIBZRHM-SANMLTNESA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50255977   
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))
BDBM50255977
PNG
((S)-2-cyclohexyl-2-(3-(3-mesitylureido)-2-naphtham...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@H](C2CCCCC2)C(O)=O)c(C)c1
Show InChI InChI=1S/C29H33N3O4/c1-17-13-18(2)25(19(3)14-17)32-29(36)30-24-16-22-12-8-7-11-21(22)15-23(24)27(33)31-26(28(34)35)20-9-5-4-6-10-20/h7-8,11-16,20,26H,4-6,9-10H2,1-3H3,(H,31,33)(H,34,35)(H2,30,32,36)/t26-/m0/s1
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Article
PubMed
n/an/a 6n/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))
BDBM50255977
PNG
((S)-2-cyclohexyl-2-(3-(3-mesitylureido)-2-naphtham...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@H](C2CCCCC2)C(O)=O)c(C)c1
Show InChI InChI=1S/C29H33N3O4/c1-17-13-18(2)25(19(3)14-17)32-29(36)30-24-16-22-12-8-7-11-21(22)15-23(24)27(33)31-26(28(34)35)20-9-5-4-6-10-20/h7-8,11-16,20,26H,4-6,9-10H2,1-3H3,(H,31,33)(H,34,35)(H2,30,32,36)/t26-/m0/s1
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KEGG

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GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 610n/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))
BDBM50255977
PNG
((S)-2-cyclohexyl-2-(3-(3-mesitylureido)-2-naphtham...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@H](C2CCCCC2)C(O)=O)c(C)c1
Show InChI InChI=1S/C29H33N3O4/c1-17-13-18(2)25(19(3)14-17)32-29(36)30-24-16-22-12-8-7-11-21(22)15-23(24)27(33)31-26(28(34)35)20-9-5-4-6-10-20/h7-8,11-16,20,26H,4-6,9-10H2,1-3H3,(H,31,33)(H,34,35)(H2,30,32,36)/t26-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 373n/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