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BDBM50256012 (S)-2-cyclopentyl-2-(3-(3-mesitylureido)-2-naphthamido)acetic acid::CHEMBL513400

SMILES: Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@H](C2CCCC2)C(O)=O)c(C)c1

InChI Key: InChIKey=PTLMRHVAGWFRJQ-VWLOTQADSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50256012   
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))
BDBM50256012
PNG
((S)-2-cyclopentyl-2-(3-(3-mesitylureido)-2-naphtha...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@H](C2CCCC2)C(O)=O)c(C)c1
Show InChI InChI=1S/C28H31N3O4/c1-16-12-17(2)24(18(3)13-16)31-28(35)29-23-15-21-11-7-6-10-20(21)14-22(23)26(32)30-25(27(33)34)19-8-4-5-9-19/h6-7,10-15,19,25H,4-5,8-9H2,1-3H3,(H,30,32)(H,33,34)(H2,29,31,35)/t25-/m0/s1
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Article
PubMed
n/an/a 14n/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))
BDBM50256012
PNG
((S)-2-cyclopentyl-2-(3-(3-mesitylureido)-2-naphtha...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@H](C2CCCC2)C(O)=O)c(C)c1
Show InChI InChI=1S/C28H31N3O4/c1-16-12-17(2)24(18(3)13-16)31-28(35)29-23-15-21-11-7-6-10-20(21)14-22(23)26(32)30-25(27(33)34)19-8-4-5-9-19/h6-7,10-15,19,25H,4-5,8-9H2,1-3H3,(H,30,32)(H,33,34)(H2,29,31,35)/t25-/m0/s1
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PC sid
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Article
PubMed
n/an/a 1.20E+3n/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))
BDBM50256012
PNG
((S)-2-cyclopentyl-2-(3-(3-mesitylureido)-2-naphtha...)
Show SMILES Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@H](C2CCCC2)C(O)=O)c(C)c1
Show InChI InChI=1S/C28H31N3O4/c1-16-12-17(2)24(18(3)13-16)31-28(35)29-23-15-21-11-7-6-10-20(21)14-22(23)26(32)30-25(27(33)34)19-8-4-5-9-19/h6-7,10-15,19,25H,4-5,8-9H2,1-3H3,(H,30,32)(H,33,34)(H2,29,31,35)/t25-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 321n/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