BDBM50357654 CHEMBL1914718
SMILES: COCCNc1ccnc2ccc(cc12)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
InChI Key: InChIKey=FQTRTFZRCVMEKM-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50357654 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)) | BDBM50357654
(CHEMBL1914718)Show SMILES COCCNc1ccnc2ccc(cc12)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 Show InChI InChI=1S/C23H20ClFN4O3S/c1-32-11-10-27-21-8-9-26-20-7-2-15(12-19(20)21)16-13-22(23(24)28-14-16)29-33(30,31)18-5-3-17(25)4-6-18/h2-9,12-14,29H,10-11H2,1H3,(H,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 69 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha-mediated Akt phosphorylation at Ser 473 in human U87MG cells |
J Med Chem 54: 4735-51 (2011)
Article DOI: 10.1021/jm200386s BindingDB Entry DOI: 10.7270/Q2FB53C5 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50357654
(CHEMBL1914718)Show SMILES COCCNc1ccnc2ccc(cc12)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 Show InChI InChI=1S/C23H20ClFN4O3S/c1-32-11-10-27-21-8-9-26-20-7-2-15(12-19(20)21)16-13-22(23(24)28-14-16)29-33(30,31)18-5-3-17(25)4-6-18/h2-9,12-14,29H,10-11H2,1H3,(H,26,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha-mediated Akt phosphorylation at Ser 473 in human U87MG cells |
J Med Chem 54: 4735-51 (2011)
Article DOI: 10.1021/jm200386s BindingDB Entry DOI: 10.7270/Q2FB53C5 |
More data for this Ligand-Target Pair | |