null
SMILES: COc1ccc(cn1)-c1cc2c(C)nc(N)nc2n(N2CCCC2)c1=O
InChI Key: InChIKey=NDHXAYXCFBHMED-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50387591 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 |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Mus musculus (Mouse)) | BDBM50387591
(CHEMBL2057735 | US8633204, 195)Show SMILES COc1ccc(cn1)-c1cc2c(C)nc(N)nc2n(N2CCCC2)c1=O Show InChI InChI=1S/C18H20N6O2/c1-11-13-9-14(12-5-6-15(26-2)20-10-12)17(25)24(23-7-3-4-8-23)16(13)22-18(19)21-11/h5-6,9-10H,3-4,7-8H2,1-2H3,(H2,19,21,22) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of mouse PI3Kalpha |
Bioorg Med Chem Lett 22: 5098-103 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.100 BindingDB Entry DOI: 10.7270/Q2CF9R58 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50387591
(CHEMBL2057735 | US8633204, 195)Show SMILES COc1ccc(cn1)-c1cc2c(C)nc(N)nc2n(N2CCCC2)c1=O Show InChI InChI=1S/C18H20N6O2/c1-11-13-9-14(12-5-6-15(26-2)20-10-12)17(25)24(23-7-3-4-8-23)16(13)22-18(19)21-11/h5-6,9-10H,3-4,7-8H2,1-2H3,(H2,19,21,22) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Pfizer Inc.
US Patent
| Assay Description Compounds of the present invention were evaluated for potency against PI3-Kα using an in vitro kinase assay. PI3-Kα activity is measured in... |
US Patent US8633204 (2014)
BindingDB Entry DOI: 10.7270/Q2Q81BQT |
More data for this Ligand-Target Pair | |