BDBM50357669 CHEMBL1914732
SMILES: CN(Cc1ccccc1)c1cnc2ccc(cc2n1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
InChI Key: InChIKey=BCKWCRGCXCOSGR-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50357669 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)) | BDBM50357669
(CHEMBL1914732)Show SMILES CN(Cc1ccccc1)c1cnc2ccc(cc2n1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 Show InChI InChI=1S/C27H21ClFN5O2S/c1-34(17-18-5-3-2-4-6-18)26-16-30-23-12-7-19(13-24(23)32-26)20-14-25(27(28)31-15-20)33-37(35,36)22-10-8-21(29)9-11-22/h2-16,33H,17H2,1H3 | 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
| 1.40 | 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 N-terminus polyHis-tagged human recombinant PI3Kalpha expressed in baculovirus infected insect Sf9 cells using phosphoinositol-4,5-bisp... |
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)) | BDBM50357669
(CHEMBL1914732)Show SMILES CN(Cc1ccccc1)c1cnc2ccc(cc2n1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 Show InChI InChI=1S/C27H21ClFN5O2S/c1-34(17-18-5-3-2-4-6-18)26-16-30-23-12-7-19(13-24(23)32-26)20-14-25(27(28)31-15-20)33-37(35,36)22-10-8-21(29)9-11-22/h2-16,33H,17H2,1H3 | 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 | 258 | 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 | |