BDBM50149550 CHEMBL3770332
SMILES: COC(=O)Nc1ccc2-c3sc(cc3CCOc2c1)-c1nncn1-c1ccccc1Cl
InChI Key: InChIKey=IMSBGZSMSGCJBM-UHFFFAOYSA-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 |
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Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human)) | BDBM50149550 (CHEMBL3770332) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB PubMed | 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech Curated by ChEMBL | Assay Description Inhibition of recombinant PI3K alpha (unknown origin) using PIP2 as substrate by fluorescence polarization assay | J Med Chem 59: 985-1002 (2016) BindingDB Entry DOI: 10.7270/Q2QF8VRV | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |