BDBM50357646 CHEMBL1914733
SMILES: Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2ncc(NCC3CCCNC3)nc2c1
InChI Key: InChIKey=NMRMRRLTZFLVMO-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50357646 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)) | BDBM50357646
(CHEMBL1914733)Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2ncc(NCC3CCCNC3)nc2c1 Show InChI InChI=1S/C25H24ClFN6O2S/c26-25-23(33-36(34,35)20-6-4-19(27)5-7-20)11-18(14-31-25)17-3-8-21-22(10-17)32-24(15-29-21)30-13-16-2-1-9-28-12-16/h3-8,10-11,14-16,28,33H,1-2,9,12-13H2,(H,30,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.30 | 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)) | BDBM50357646
(CHEMBL1914733)Show SMILES Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2ncc(NCC3CCCNC3)nc2c1 Show InChI InChI=1S/C25H24ClFN6O2S/c26-25-23(33-36(34,35)20-6-4-19(27)5-7-20)11-18(14-31-25)17-3-8-21-22(10-17)32-24(15-29-21)30-13-16-2-1-9-28-12-16/h3-8,10-11,14-16,28,33H,1-2,9,12-13H2,(H,30,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.71E+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 | |