BDBM50314324 (Z)-1-(2-((4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-5-yl)-3-(6-morpholinopyridin-3-yl)urea::CHEMBL1091316
SMILES: Cn1cc(\C=C2/Oc3ccc(NC(=O)Nc4ccc(nc4)N4CCOCC4)cc3C2=O)c2c(ccnc12)N1CC2CCC(C1)O2
InChI Key: InChIKey=USHQLFYWHWDLTR-MUXKCCDJSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50314324 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)) | BDBM50314324
((Z)-1-(2-((4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)...)Show SMILES Cn1cc(\C=C2/Oc3ccc(NC(=O)Nc4ccc(nc4)N4CCOCC4)cc3C2=O)c2c(ccnc12)N1CC2CCC(C1)O2 Show InChI InChI=1S/C33H33N7O5/c1-38-17-20(30-26(8-9-34-32(30)38)40-18-23-4-5-24(19-40)44-23)14-28-31(41)25-15-21(2-6-27(25)45-28)36-33(42)37-22-3-7-29(35-16-22)39-10-12-43-13-11-39/h2-3,6-9,14-17,23-24H,4-5,10-13,18-19H2,1H3,(H2,36,37,42)/b28-14- | 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 | 2.22E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 20: 2259-63 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.012 BindingDB Entry DOI: 10.7270/Q2TB1717 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50314324
((Z)-1-(2-((4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)...)Show SMILES Cn1cc(\C=C2/Oc3ccc(NC(=O)Nc4ccc(nc4)N4CCOCC4)cc3C2=O)c2c(ccnc12)N1CC2CCC(C1)O2 Show InChI InChI=1S/C33H33N7O5/c1-38-17-20(30-26(8-9-34-32(30)38)40-18-23-4-5-24(19-40)44-23)14-28-31(41)25-15-21(2-6-27(25)45-28)36-33(42)37-22-3-7-29(35-16-22)39-10-12-43-13-11-39/h2-3,6-9,14-17,23-24H,4-5,10-13,18-19H2,1H3,(H2,36,37,42)/b28-14- | 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 | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of mTOR |
Bioorg Med Chem Lett 20: 2259-63 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.012 BindingDB Entry DOI: 10.7270/Q2TB1717 |
More data for this Ligand-Target Pair | |