BDBM50314333 (Z)-N-methyl-1-(1-methyl-3-((3-oxo-5-(3-pyridin-3-ylureido)benzofuran-2(3H)-ylidene)methyl)-1H-pyrrolo[2,3-b]pyridin-4-yl)-N-(pyridin-3-yl)piperidine-4-carboxamide::CHEMBL1091708
SMILES: CN(C(=O)C1CCN(CC1)c1ccnc2n(C)cc(\C=C3/Oc4ccc(NC(=O)Nc5cccnc5)cc4C3=O)c12)c1cccnc1
InChI Key: InChIKey=OGXPPOYMNJGVMW-LQNQUEJISA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50314333 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)) | BDBM50314333
((Z)-N-methyl-1-(1-methyl-3-((3-oxo-5-(3-pyridin-3-...)Show SMILES CN(C(=O)C1CCN(CC1)c1ccnc2n(C)cc(\C=C3/Oc4ccc(NC(=O)Nc5cccnc5)cc4C3=O)c12)c1cccnc1 Show InChI InChI=1S/C35H32N8O4/c1-41-21-23(17-30-32(44)27-18-24(7-8-29(27)47-30)39-35(46)40-25-5-3-12-36-19-25)31-28(9-14-38-33(31)41)43-15-10-22(11-16-43)34(45)42(2)26-6-4-13-37-20-26/h3-9,12-14,17-22H,10-11,15-16H2,1-2H3,(H2,39,40,46)/b30-17- | 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 | 13 | 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)) | BDBM50314333
((Z)-N-methyl-1-(1-methyl-3-((3-oxo-5-(3-pyridin-3-...)Show SMILES CN(C(=O)C1CCN(CC1)c1ccnc2n(C)cc(\C=C3/Oc4ccc(NC(=O)Nc5cccnc5)cc4C3=O)c12)c1cccnc1 Show InChI InChI=1S/C35H32N8O4/c1-41-21-23(17-30-32(44)27-18-24(7-8-29(27)47-30)39-35(46)40-25-5-3-12-36-19-25)31-28(9-14-38-33(31)41)43-15-10-22(11-16-43)34(45)42(2)26-6-4-13-37-20-26/h3-9,12-14,17-22H,10-11,15-16H2,1-2H3,(H2,39,40,46)/b30-17- | 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 | 4.96E+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 | |