null
SMILES: Cc1nn2c(cc(nc2=O)N2CCOCC2)n1Cc1cccc(c1C)C(F)(F)F
InChI Key: InChIKey=JOMBLYKPBRRQBY-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50381163 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 beta isoform
(Homo sapiens (Human)) | BDBM50381163
(CHEMBL2018361)Show SMILES Cc1nn2c(cc(nc2=O)N2CCOCC2)n1Cc1cccc(c1C)C(F)(F)F Show InChI InChI=1S/C19H20F3N5O2/c1-12-14(4-3-5-15(12)19(20,21)22)11-26-13(2)24-27-17(26)10-16(23-18(27)28)25-6-8-29-9-7-25/h3-5,10H,6-9,11H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 92 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of PI3K beta-mediated AKT phosphorylation at serine 473 in PTEN deficient human MDA-MB-468 cells after 30 mins |
Bioorg Med Chem Lett 22: 3198-202 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.039 BindingDB Entry DOI: 10.7270/Q2TD9ZBP |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50381163
(CHEMBL2018361)Show SMILES Cc1nn2c(cc(nc2=O)N2CCOCC2)n1Cc1cccc(c1C)C(F)(F)F Show InChI InChI=1S/C19H20F3N5O2/c1-12-14(4-3-5-15(12)19(20,21)22)11-26-13(2)24-27-17(26)10-16(23-18(27)28)25-6-8-29-9-7-25/h3-5,10H,6-9,11H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of PI3Kbeta by continuous read time resolved fluorescence resonance energy transfer displacement assay |
Bioorg Med Chem Lett 22: 3198-202 (2012)
Article DOI: 10.1016/j.bmcl.2012.03.039 BindingDB Entry DOI: 10.7270/Q2TD9ZBP |
More data for this Ligand-Target Pair | |