BDBM50389283 CHEMBL2063757
SMILES: CCNC(=O)Nc1ccc(cc1)-c1nc2CCCS(=O)(=O)c2c(n1)N1CCOC[C@@H]1C
InChI Key: InChIKey=WYMTXCBVHNGIIC-AWEZNQCLSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50389283 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)) | BDBM50389283
(CHEMBL2063757)Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2CCCS(=O)(=O)c2c(n1)N1CCOC[C@@H]1C |r| Show InChI InChI=1S/C21H27N5O4S/c1-3-22-21(27)23-16-8-6-15(7-9-16)19-24-17-5-4-12-31(28,29)18(17)20(25-19)26-10-11-30-13-14(26)2/h6-9,14H,3-5,10-13H2,1-2H3,(H2,22,23,27)/t14-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of mTOR |
Bioorg Med Chem Lett 22: 5114-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.104 BindingDB Entry DOI: 10.7270/Q29024WG |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50389283
(CHEMBL2063757)Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2CCCS(=O)(=O)c2c(n1)N1CCOC[C@@H]1C |r| Show InChI InChI=1S/C21H27N5O4S/c1-3-22-21(27)23-16-8-6-15(7-9-16)19-24-17-5-4-12-31(28,29)18(17)20(25-19)26-10-11-30-13-14(26)2/h6-9,14H,3-5,10-13H2,1-2H3,(H2,22,23,27)/t14-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >4.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha |
Bioorg Med Chem Lett 22: 5114-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.104 BindingDB Entry DOI: 10.7270/Q29024WG |
More data for this Ligand-Target Pair | |