null
SMILES: COc1ccc2[nH]cc(\C=C3\Oc4ccc(NC(=O)Nc5ccc(cc5)C(=O)N5CCN(C)CC5)cc4C3=O)c2c1
InChI Key: InChIKey=BIAXGJMYDHOWPN-RWPZCVJISA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50320102 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)) | BDBM50320102
(1-(2-((5-methoxy-1H-indol-3-yl)methylene)-3-oxo-2,...)Show SMILES COc1ccc2[nH]cc(\C=C3\Oc4ccc(NC(=O)Nc5ccc(cc5)C(=O)N5CCN(C)CC5)cc4C3=O)c2c1 Show InChI InChI=1S/C31H29N5O5/c1-35-11-13-36(14-12-35)30(38)19-3-5-21(6-4-19)33-31(39)34-22-7-10-27-25(16-22)29(37)28(41-27)15-20-18-32-26-9-8-23(40-2)17-24(20)26/h3-10,15-18,32H,11-14H2,1-2H3,(H2,33,34,39)/b28-15+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >4.00E+3 | 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: 3526-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.139 BindingDB Entry DOI: 10.7270/Q2FQ9WSC |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50320102
(1-(2-((5-methoxy-1H-indol-3-yl)methylene)-3-oxo-2,...)Show SMILES COc1ccc2[nH]cc(\C=C3\Oc4ccc(NC(=O)Nc5ccc(cc5)C(=O)N5CCN(C)CC5)cc4C3=O)c2c1 Show InChI InChI=1S/C31H29N5O5/c1-35-11-13-36(14-12-35)30(38)19-3-5-21(6-4-19)33-31(39)34-22-7-10-27-25(16-22)29(37)28(41-27)15-20-18-32-26-9-8-23(40-2)17-24(20)26/h3-10,15-18,32H,11-14H2,1-2H3,(H2,33,34,39)/b28-15+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.900 | 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: 3526-9 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.139 BindingDB Entry DOI: 10.7270/Q2FQ9WSC |
More data for this Ligand-Target Pair | |