Found 5 hits Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform' and Ligand = 'BDBM50365868' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/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)) | BDBM50365868
(CHEMBL1957857)Show SMILES Cc1cn2c(nc(cc2=O)N2CCOCC2)n1Cc1cccc(c1C)C(F)(F)F Show InChI InChI=1S/C20H21F3N4O2/c1-13-11-27-18(28)10-17(25-6-8-29-9-7-25)24-19(27)26(13)12-15-4-3-5-16(14(15)2)20(21,22)23/h3-5,10-11H,6-9,12H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of PI3Kbeta by time-resolved FRET displacement assay |
Bioorg Med Chem Lett 22: 2230-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.092 BindingDB Entry DOI: 10.7270/Q2GH9JF0 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50365868
(CHEMBL1957857)Show SMILES Cc1cn2c(nc(cc2=O)N2CCOCC2)n1Cc1cccc(c1C)C(F)(F)F Show InChI InChI=1S/C20H21F3N4O2/c1-13-11-27-18(28)10-17(25-6-8-29-9-7-25)24-19(27)26(13)12-15-4-3-5-16(14(15)2)20(21,22)23/h3-5,10-11H,6-9,12H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.30 | 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 | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50365868
(CHEMBL1957857)Show SMILES Cc1cn2c(nc(cc2=O)N2CCOCC2)n1Cc1cccc(c1C)C(F)(F)F Show InChI InChI=1S/C20H21F3N4O2/c1-13-11-27-18(28)10-17(25-6-8-29-9-7-25)24-19(27)26(13)12-15-4-3-5-16(14(15)2)20(21,22)23/h3-5,10-11H,6-9,12H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 78 | 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)) | BDBM50365868
(CHEMBL1957857)Show SMILES Cc1cn2c(nc(cc2=O)N2CCOCC2)n1Cc1cccc(c1C)C(F)(F)F Show InChI InChI=1S/C20H21F3N4O2/c1-13-11-27-18(28)10-17(25-6-8-29-9-7-25)24-19(27)26(13)12-15-4-3-5-16(14(15)2)20(21,22)23/h3-5,10-11H,6-9,12H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of PI3Kbeta-mediated AKT SER473 phosphorylation in human MDA-MB-468 cells after 30 mins |
Bioorg Med Chem Lett 22: 2230-4 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.092 BindingDB Entry DOI: 10.7270/Q2GH9JF0 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50365868
(CHEMBL1957857)Show SMILES Cc1cn2c(nc(cc2=O)N2CCOCC2)n1Cc1cccc(c1C)C(F)(F)F Show InChI InChI=1S/C20H21F3N4O2/c1-13-11-27-18(28)10-17(25-6-8-29-9-7-25)24-19(27)26(13)12-15-4-3-5-16(14(15)2)20(21,22)23/h3-5,10-11H,6-9,12H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.90E+4 | 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 wild type human HCC1954 cells |
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 | |