BDBM50336875 CHEMBL1672324::N2'-methyl-2-morpholino-N6-(quinolin-3-yl)-4,5'-bipyrimidine-2',6-diamine
SMILES: CNc1ncc(cn1)-c1cc(Nc2cnc3ccccc3c2)nc(n1)N1CCOCC1
InChI Key: InChIKey=JIPRSFBAFUWPLO-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50336875 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)) | BDBM50336875
(CHEMBL1672324 | N2'-methyl-2-morpholino-N6-(quinol...)Show SMILES CNc1ncc(cn1)-c1cc(Nc2cnc3ccccc3c2)nc(n1)N1CCOCC1 Show InChI InChI=1S/C22H22N8O/c1-23-21-25-12-16(13-26-21)19-11-20(29-22(28-19)30-6-8-31-9-7-30)27-17-10-15-4-2-3-5-18(15)24-14-17/h2-5,10-14H,6-9H2,1H3,(H,23,25,26)(H,27,28,29) | 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 | n/a | n/a | 110 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha-mediated Akt phosphorylation at Ser473 in human A2780 cells after 1 hr |
ACS Med Chem Lett 2: 34-38 (2011)
Article DOI: 10.1021/ml1001932 BindingDB Entry DOI: 10.7270/Q2B56K0R |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50336875
(CHEMBL1672324 | N2'-methyl-2-morpholino-N6-(quinol...)Show SMILES CNc1ncc(cn1)-c1cc(Nc2cnc3ccccc3c2)nc(n1)N1CCOCC1 Show InChI InChI=1S/C22H22N8O/c1-23-21-25-12-16(13-26-21)19-11-20(29-22(28-19)30-6-8-31-9-7-30)27-17-10-15-4-2-3-5-18(15)24-14-17/h2-5,10-14H,6-9H2,1H3,(H,23,25,26)(H,27,28,29) | 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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha after 15 mins |
ACS Med Chem Lett 2: 34-38 (2011)
Article DOI: 10.1021/ml1001932 BindingDB Entry DOI: 10.7270/Q2B56K0R |
More data for this Ligand-Target Pair | |