BDBM50314342 (Z)-1-(2-((1-methyl-4-(4-(pyrrolidine-1-carbonyl)piperidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-5-yl)-3-(pyridin-3-yl)urea::CHEMBL1091699
SMILES: Cn1cc(\C=C2/Oc3ccc(NC(=O)Nc4cccnc4)cc3C2=O)c2c(ccnc12)N1CCC(CC1)C(=O)N1CCCC1
InChI Key: InChIKey=XQQTVKVOXZGWRV-QRQIAZFYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50314342 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 |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50314342
((Z)-1-(2-((1-methyl-4-(4-(pyrrolidine-1-carbonyl)p...)Show SMILES Cn1cc(\C=C2/Oc3ccc(NC(=O)Nc4cccnc4)cc3C2=O)c2c(ccnc12)N1CCC(CC1)C(=O)N1CCCC1 Show InChI InChI=1S/C33H33N7O4/c1-38-20-22(29-26(8-12-35-31(29)38)39-15-9-21(10-16-39)32(42)40-13-2-3-14-40)17-28-30(41)25-18-23(6-7-27(25)44-28)36-33(43)37-24-5-4-11-34-19-24/h4-8,11-12,17-21H,2-3,9-10,13-16H2,1H3,(H2,36,37,43)/b28-17- | 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 | 8.20 | 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 | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50314342
((Z)-1-(2-((1-methyl-4-(4-(pyrrolidine-1-carbonyl)p...)Show SMILES Cn1cc(\C=C2/Oc3ccc(NC(=O)Nc4cccnc4)cc3C2=O)c2c(ccnc12)N1CCC(CC1)C(=O)N1CCCC1 Show InChI InChI=1S/C33H33N7O4/c1-38-20-22(29-26(8-12-35-31(29)38)39-15-9-21(10-16-39)32(42)40-13-2-3-14-40)17-28-30(41)25-18-23(6-7-27(25)44-28)36-33(43)37-24-5-4-11-34-19-24/h4-8,11-12,17-21H,2-3,9-10,13-16H2,1H3,(H2,36,37,43)/b28-17- | 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 | 909 | 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 | |