null
SMILES: CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)C(=O)OCC)c2n1
InChI Key: InChIKey=NGJVDJJMXFCUOB-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50300077 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)) | BDBM50300077
(CHEMBL578645 | ethyl 4-(6-(4-(3-ethylureido)phenyl...)Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)C(=O)OCC)c2n1 Show InChI InChI=1S/C26H34N8O4/c1-3-27-25(35)29-19-7-5-18(6-8-19)22-30-23(32-13-15-37-16-14-32)21-17-28-34(24(21)31-22)20-9-11-33(12-10-20)26(36)38-4-2/h5-8,17,20H,3-4,9-16H2,1-2H3,(H2,27,29,35) | 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 | 704 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha |
J Med Chem 52: 7942-5 (2009)
Article DOI: 10.1021/jm901415x BindingDB Entry DOI: 10.7270/Q2WM1DGH |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50300077
(CHEMBL578645 | ethyl 4-(6-(4-(3-ethylureido)phenyl...)Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)C(=O)OCC)c2n1 Show InChI InChI=1S/C26H34N8O4/c1-3-27-25(35)29-19-7-5-18(6-8-19)22-30-23(32-13-15-37-16-14-32)21-17-28-34(24(21)31-22)20-9-11-33(12-10-20)26(36)38-4-2/h5-8,17,20H,3-4,9-16H2,1-2H3,(H2,27,29,35) | 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 | 0.170 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of Flag-tagged human mTOR by DELFIA method |
J Med Chem 52: 7942-5 (2009)
Article DOI: 10.1021/jm901415x BindingDB Entry DOI: 10.7270/Q2WM1DGH |
More data for this Ligand-Target Pair | |