BDBM50419757 CHEMBL1949913
SMILES: CN1CCN(Cc2cc3c(nc(nc3s2)-c2cnc(N)nc2)N2CCOCC2)CC1
InChI Key: InChIKey=DFIFOYFVGAPUQY-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50419757 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
(Homo sapiens (Human)) | BDBM50419757
(CHEMBL1949913)Show SMILES CN1CCN(Cc2cc3c(nc(nc3s2)-c2cnc(N)nc2)N2CCOCC2)CC1 Show InChI InChI=1S/C20H26N8OS/c1-26-2-4-27(5-3-26)13-15-10-16-18(28-6-8-29-9-7-28)24-17(25-19(16)30-15)14-11-22-20(21)23-12-14/h10-12H,2-9,13H2,1H3,(H2,21,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Apparent binding affinity to PI3Kalpha using PIP3 as substrate after 30 mins by fluorescence polarization assay |
J Med Chem 54: 7815-33 (2011)
Article DOI: 10.1021/jm2007084 BindingDB Entry DOI: 10.7270/Q2057GCQ |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50419757
(CHEMBL1949913)Show SMILES CN1CCN(Cc2cc3c(nc(nc3s2)-c2cnc(N)nc2)N2CCOCC2)CC1 Show InChI InChI=1S/C20H26N8OS/c1-26-2-4-27(5-3-26)13-15-10-16-18(28-6-8-29-9-7-28)24-17(25-19(16)30-15)14-11-22-20(21)23-12-14/h10-12H,2-9,13H2,1H3,(H2,21,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Apparent binding affinity to PI3Kbeta using PIP3 as substrate after 30 mins by fluorescence polarization assay |
J Med Chem 54: 7815-33 (2011)
Article DOI: 10.1021/jm2007084 BindingDB Entry DOI: 10.7270/Q2057GCQ |
More data for this Ligand-Target Pair | |