BDBM50419760 CHEMBL1949918
SMILES: CN(C)C(=O)N1CCN(Cc2cc3c(nc(nc3s2)-c2cnc(N)nc2)N2CCOCC2)CC1
InChI Key: InChIKey=FJDUBAONUKWCOM-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50419760 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)) | BDBM50419760
(CHEMBL1949918)Show SMILES CN(C)C(=O)N1CCN(Cc2cc3c(nc(nc3s2)-c2cnc(N)nc2)N2CCOCC2)CC1 Show InChI InChI=1S/C22H29N9O2S/c1-28(2)22(32)31-5-3-29(4-6-31)14-16-11-17-19(30-7-9-33-10-8-30)26-18(27-20(17)34-16)15-12-24-21(23)25-13-15/h11-13H,3-10,14H2,1-2H3,(H2,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2 | 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)) | BDBM50419760
(CHEMBL1949918)Show SMILES CN(C)C(=O)N1CCN(Cc2cc3c(nc(nc3s2)-c2cnc(N)nc2)N2CCOCC2)CC1 Show InChI InChI=1S/C22H29N9O2S/c1-28(2)22(32)31-5-3-29(4-6-31)14-16-11-17-19(30-7-9-33-10-8-30)26-18(27-20(17)34-16)15-12-24-21(23)25-13-15/h11-13H,3-10,14H2,1-2H3,(H2,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 108 | 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 | |