BDBM50357667 CHEMBL1914730
SMILES: COCCN(C)c1cnc2ccc(cc2n1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
InChI Key: InChIKey=FUCFMCKCHUSEOG-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50357667 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)) | BDBM50357667
(CHEMBL1914730)Show SMILES COCCN(C)c1cnc2ccc(cc2n1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 Show InChI InChI=1S/C23H21ClFN5O3S/c1-30(9-10-33-2)22-14-26-19-8-3-15(11-20(19)28-22)16-12-21(23(24)27-13-16)29-34(31,32)18-6-4-17(25)5-7-18/h3-8,11-14,29H,9-10H2,1-2H3 | 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 | 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)) | BDBM50357667
(CHEMBL1914730)Show SMILES COCCN(C)c1cnc2ccc(cc2n1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 Show InChI InChI=1S/C23H21ClFN5O3S/c1-30(9-10-33-2)22-14-26-19-8-3-15(11-20(19)28-22)16-12-21(23(24)27-13-16)29-34(31,32)18-6-4-17(25)5-7-18/h3-8,11-14,29H,9-10H2,1-2H3 | 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 | 56 | 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 | |