Found 3 hits Enz. Inhib. hit(s) with Target = 'Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform' and Ligand = 'BDBM50427457' 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 alpha isoform
(Homo sapiens (Human)) | BDBM50427457
(CHEMBL2326952 | US10308662, Compound 25 | US950578...)Show SMILES CCOC(=O)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C20H19NO5S/c1-2-25-20(23)14-5-3-13(4-6-14)15-12-27-19-16(22)11-17(26-18(15)19)21-7-9-24-10-8-21/h3-6,11-12H,2,7-10H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| US Patent
| n/a | n/a | 714 | n/a | n/a | n/a | n/a | n/a | n/a |
SignalRx Pharmaceuticals, Inc.
US Patent
| Assay Description Several TP Scaffold compounds were tested for inhibition activity against isoforms of PI3K (alpha, beta, gamma, and delta isoforms) and the bromodoma... |
US Patent US9505780 (2016)
BindingDB Entry DOI: 10.7270/Q22B8WZ1 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50427457
(CHEMBL2326952 | US10308662, Compound 25 | US950578...)Show SMILES CCOC(=O)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C20H19NO5S/c1-2-25-20(23)14-5-3-13(4-6-14)15-12-27-19-16(22)11-17(26-18(15)19)21-7-9-24-10-8-21/h3-6,11-12H,2,7-10H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| | n/a | n/a | 714 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50427457
(CHEMBL2326952 | US10308662, Compound 25 | US950578...)Show SMILES CCOC(=O)c1ccc(cc1)-c1csc2c1oc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C20H19NO5S/c1-2-25-20(23)14-5-3-13(4-6-14)15-12-27-19-16(22)11-17(26-18(15)19)21-7-9-24-10-8-21/h3-6,11-12H,2,7-10H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 714 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona
Curated by ChEMBL
| Assay Description Inhibition of PI3K p110alpha (unknown origin) |
J Med Chem 56: 1922-39 (2013)
Article DOI: 10.1021/jm301522m BindingDB Entry DOI: 10.7270/Q2Z89DR9 |
More data for this Ligand-Target Pair | |