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SMILES: CC(C)CC[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O

InChI Key: InChIKey=YCAVDJDBHPHXEP-QHCPKHFHSA-N

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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 = 50256573   
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, liver form


(Homo sapiens (Human))
BDBM50256573
PNG
((S)-2-(3-(3-mesitylureido)-2-naphthamido)-5-methyl...)
Show SMILES CC(C)CC[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O |r|
Show InChI InChI=1S/C28H33N3O4/c1-16(2)10-11-23(27(33)34)29-26(32)22-14-20-8-6-7-9-21(20)15-24(22)30-28(35)31-25-18(4)12-17(3)13-19(25)5/h6-9,12-16,23H,10-11H2,1-5H3,(H,29,32)(H,33,34)(H2,30,31,35)/t23-/m0/s1
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n/an/a 452n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 981-5 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.084
BindingDB Entry DOI: 10.7270/Q2319VRH
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50256573
PNG
((S)-2-(3-(3-mesitylureido)-2-naphthamido)-5-methyl...)
Show SMILES CC(C)CC[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O |r|
Show InChI InChI=1S/C28H33N3O4/c1-16(2)10-11-23(27(33)34)29-26(32)22-14-20-8-6-7-9-21(20)15-24(22)30-28(35)31-25-18(4)12-17(3)13-19(25)5/h6-9,12-16,23H,10-11H2,1-5H3,(H,29,32)(H,33,34)(H2,30,31,35)/t23-/m0/s1
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Article
PubMed
n/an/a 740n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Bioorg Med Chem Lett 19: 981-5 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.084
BindingDB Entry DOI: 10.7270/Q2319VRH
More data for this
Ligand-Target Pair
Glycogen phosphorylase, liver form


(Homo sapiens (Human))
BDBM50256573
PNG
((S)-2-(3-(3-mesitylureido)-2-naphthamido)-5-methyl...)
Show SMILES CC(C)CC[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O |r|
Show InChI InChI=1S/C28H33N3O4/c1-16(2)10-11-23(27(33)34)29-26(32)22-14-20-8-6-7-9-21(20)15-24(22)30-28(35)31-25-18(4)12-17(3)13-19(25)5/h6-9,12-16,23H,10-11H2,1-5H3,(H,29,32)(H,33,34)(H2,30,31,35)/t23-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human liver glycogen phosphorylase A by fluorescence plate reader assay


Bioorg Med Chem Lett 19: 981-5 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.084
BindingDB Entry DOI: 10.7270/Q2319VRH
More data for this
Ligand-Target Pair