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BDBM50255976 (S)-2-cyclohexyl-2-(3-(3-(2,4,6-trichlorophenyl)ureido)-2-naphthamido)acetic acid::CHEMBL512527

SMILES: OC(=O)[C@@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(Cl)cc(Cl)cc1Cl)C1CCCCC1

InChI Key: InChIKey=CTDGLQDIWIHFIA-QFIPXVFZSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50255976   
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))
BDBM50255976
PNG
((S)-2-cyclohexyl-2-(3-(3-(2,4,6-trichlorophenyl)ur...)
Show SMILES OC(=O)[C@@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(Cl)cc(Cl)cc1Cl)C1CCCCC1
Show InChI InChI=1S/C26H24Cl3N3O4/c27-17-12-19(28)23(20(29)13-17)32-26(36)30-21-11-16-9-5-4-8-15(16)10-18(21)24(33)31-22(25(34)35)14-6-2-1-3-7-14/h4-5,8-14,22H,1-3,6-7H2,(H,31,33)(H,34,35)(H2,30,32,36)/t22-/m0/s1
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KEGG

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PC sid
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Article
PubMed
n/an/a 224n/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
Glycogen Phosphorylase (PYGL)


(Homo sapiens (human))
BDBM50255976
PNG
((S)-2-cyclohexyl-2-(3-(3-(2,4,6-trichlorophenyl)ur...)
Show SMILES OC(=O)[C@@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(Cl)cc(Cl)cc1Cl)C1CCCCC1
Show InChI InChI=1S/C26H24Cl3N3O4/c27-17-12-19(28)23(20(29)13-17)32-26(36)30-21-11-16-9-5-4-8-15(16)10-18(21)24(33)31-22(25(34)35)14-6-2-1-3-7-14/h4-5,8-14,22H,1-3,6-7H2,(H,31,33)(H,34,35)(H2,30,32,36)/t22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 65n/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