BDBM50389286 CHEMBL2063761
SMILES: CCNC(=O)Nc1ccc(cc1)-c1nc2CS(=O)(=O)Cc2c(n1)N1C[C@@H]2C[C@H]1CO2
InChI Key: InChIKey=JPOAQDAFYRTLEO-GJZGRUSLSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50389286 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)) | BDBM50389286
(CHEMBL2063761)Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2CS(=O)(=O)Cc2c(n1)N1C[C@@H]2C[C@H]1CO2 |r| Show InChI InChI=1S/C20H23N5O4S/c1-2-21-20(26)22-13-5-3-12(4-6-13)18-23-17-11-30(27,28)10-16(17)19(24-18)25-8-15-7-14(25)9-29-15/h3-6,14-15H,2,7-11H2,1H3,(H2,21,22,26)/t14-,15-/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
| 62 | 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 | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50389286
(CHEMBL2063761)Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2CS(=O)(=O)Cc2c(n1)N1C[C@@H]2C[C@H]1CO2 |r| Show InChI InChI=1S/C20H23N5O4S/c1-2-21-20(26)22-13-5-3-12(4-6-13)18-23-17-11-30(27,28)10-16(17)19(24-18)25-8-15-7-14(25)9-29-15/h3-6,14-15H,2,7-11H2,1H3,(H2,21,22,26)/t14-,15-/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
| n/a | n/a | 1.29E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of mTOR-mediated AKT phosphorylation at Ser473 by cell based assay |
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 | |