BDBM50256169 (S)-2-cyclohexyl-2-(3-(3-mesitylureido)-2-naphthamido)propanoic acid::2-cyclohexyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-2-yl)carbonyl]-D-alanine::CHEMBL482146
SMILES: Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@](C)(C2CCCCC2)C(O)=O)c(C)c1
InChI Key: InChIKey=ZYHGLTOSKWXGQM-PMERELPUSA-N
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Glycogen Phosphorylase (PYGL) (Homo sapiens (Human)) | BDBM50256169![]() ((S)-2-cyclohexyl-2-(3-(3-mesitylureido)-2-naphtham...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/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 | ![]() 3D Structure (crystal) | ||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50256169![]() ((S)-2-cyclohexyl-2-(3-(3-mesitylureido)-2-naphtham...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 9.20E+3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50256169![]() ((S)-2-cyclohexyl-2-(3-(3-mesitylureido)-2-naphtham...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/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 | ![]() 3D Structure (crystal) |