BDBM50314321 (Z)-1-(2-((4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-5-yl)-3-(pyridin-3-yl)urea::CHEMBL1090710
SMILES: Cn1cc(\C=C2/Oc3ccc(NC(=O)Nc4cccnc4)cc3C2=O)c2c(ccnc12)N1C2CCC1COC2
InChI Key: InChIKey=CMHDLFGNDMVUAI-GATIEOLUSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50314321 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)) | BDBM50314321
((Z)-1-(2-((4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)...)Show SMILES Cn1cc(\C=C2/Oc3ccc(NC(=O)Nc4cccnc4)cc3C2=O)c2c(ccnc12)N1C2CCC1COC2 Show InChI InChI=1S/C29H26N6O4/c1-34-14-17(26-23(8-10-31-28(26)34)35-20-5-6-21(35)16-38-15-20)11-25-27(36)22-12-18(4-7-24(22)39-25)32-29(37)33-19-3-2-9-30-13-19/h2-4,7-14,20-21H,5-6,15-16H2,1H3,(H2,32,33,37)/b25-11- | 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 | 128 | 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)) | BDBM50314321
((Z)-1-(2-((4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)...)Show SMILES Cn1cc(\C=C2/Oc3ccc(NC(=O)Nc4cccnc4)cc3C2=O)c2c(ccnc12)N1C2CCC1COC2 Show InChI InChI=1S/C29H26N6O4/c1-34-14-17(26-23(8-10-31-28(26)34)35-20-5-6-21(35)16-38-15-20)11-25-27(36)22-12-18(4-7-24(22)39-25)32-29(37)33-19-3-2-9-30-13-19/h2-4,7-14,20-21H,5-6,15-16H2,1H3,(H2,32,33,37)/b25-11- | 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 | 42 | 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 | |