BindingDB PrimarySearch

BDBM50262139 2-acetamido-6-((5-acetoxy-11-hydroxy-4-(methoxymethyl)-4a,6a-dimethyl-2,7,10-trioxo-4,4a,6,6a,7,8,9,9a-octahydroindeno[4,5-h]isochromen-1(2H,5H,10H)-ylidene)methylamino)hexanoic acid::2-acetamido-6-((Z)-((4S,4aR,5R,6aS,9aR)-5-acetoxy-11-hydroxy-4-(methoxymethyl)-4a,6a-dimethyl-2,7,10-trioxo-4,4a,6,6a,7,8,9,9a-octahydroindeno[4,5-h]isochromen-1(2H,5H,10H)-ylidene)methylamino)hexanoic acid::CHEMBL504715::WmC20-lys, 2

SMILES: COC[C@H]1OC(=O)C(=CNCCCCC(NC(C)=O)C(O)=O)C2C(=O)C(=O)C3=C([C@@H](C[C@@]4(C)[C@H]3CCC4=O)OC(C)=O)[C@@]12C

InChI Key: InChIKey=KYEFLSBGNQRMQD-ZHJWRYOZSA-N

Data: 3 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50262139
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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50262139 (2-acetamido-6-((5-acetoxy-11-hydroxy-4-(methoxymet...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital					Assay Description Inhibition of PI3 kinase by WmC20 derivatives causing a formation of covalent bond between WmC20 derivatives and the target protein.				Chem Biol 14: 321-8 (2007) Article DOI: 10.1016/j.chembiol.2007.02.007 BindingDB Entry DOI: 10.7270/Q21J986V
Massachusetts General Hospital					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50262139 (2-acetamido-6-((5-acetoxy-11-hydroxy-4-(methoxymet...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of PI3 kinase				Bioorg Med Chem Lett 19: 4223-7 (2009) Article DOI: 10.1016/j.bmcl.2009.05.105 BindingDB Entry DOI: 10.7270/Q2QZ2B0P
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50262139 (2-acetamido-6-((5-acetoxy-11-hydroxy-4-(methoxymet...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Inhibition of PI3K (unknown origin) by fluorescence energy transfer assay				J Med Chem 51: 4699-707 (2008) Article DOI: 10.1021/jm800374f BindingDB Entry DOI: 10.7270/Q22B8XV3
Harvard Medical School Curated by ChEMBL					More data for this Ligand-Target Pair