BindingDB PrimarySearch

BDBM50345028 ((R)-4-(3-((1S,2S,3R,4R,5S,6R)-4-(dodecyloxy)-2,3,5-tris(3-methylbut-2-enyloxy)-6-(4-methylpent-2-enyloxy)cyclohexyloxy)prop-1-ynyl)-1-(hydroxymethyl)-3-oxo-1,3-dihydroisobenzofuran-1-yl)methyl 2-tert-butyl-3,3-dimethylbutanoate::CHEMBL1778823

SMILES: [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#8]-[#6@@H]-1-[#6@H](-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6@@H](-[#8]-[#6]\[#6]=[#6]\[#6](-[#6])-[#6])-[#6@H](-[#8]-[#6]C#Cc2cccc3c2-[#6](=O)-[#8][C@]3([#6]-[#8])[#6]-[#8]-[#6](=O)-[#6](C([#6])([#6])[#6])C([#6])([#6])[#6])-[#6@@H](-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6@@H]-1-[#8]-[#6]\[#6]=[#6](\[#6])-[#6]

InChI Key: InChIKey=LHOMERRQCQRHBH-XIVHEBHASA-N

Data: 1 KI

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50345028
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50345028 (((R)-4-(3-((1S,2S,3R,4R,5S,6R)-4-(dodecyloxy)-2,3,...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
RIKEN Advanced Science Institute Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from human recombinant PKCalpha after 20 mins by liquid scintillation counting				Bioorg Med Chem Lett 21: 3587-90 (2011) Article DOI: 10.1016/j.bmcl.2011.04.108 BindingDB Entry DOI: 10.7270/Q2HM58TF
RIKEN Advanced Science Institute Curated by ChEMBL					More data for this Ligand-Target Pair