BDBM50396315 CHEMBL2172474
SMILES: CC(=O)Nc1cc(nc(C)n1)-c1c(Nc2ccn(C)n2)nc2cccnn12
InChI Key: InChIKey=CWCIJIQAVFNXDY-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50396315 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)) | BDBM50396315
(CHEMBL2172474)Show SMILES CC(=O)Nc1cc(nc(C)n1)-c1c(Nc2ccn(C)n2)nc2cccnn12 Show InChI InChI=1S/C17H17N9O/c1-10-19-12(9-14(20-10)21-11(2)27)16-17(22-13-6-8-25(3)24-13)23-15-5-4-7-18-26(15)16/h4-9H,1-3H3,(H,22,24)(H,19,20,21,27) | 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 | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of mTOR by LanthaScreen assay |
Bioorg Med Chem Lett 22: 4967-74 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.033 BindingDB Entry DOI: 10.7270/Q2BK1DHN |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50396315
(CHEMBL2172474)Show SMILES CC(=O)Nc1cc(nc(C)n1)-c1c(Nc2ccn(C)n2)nc2cccnn12 Show InChI InChI=1S/C17H17N9O/c1-10-19-12(9-14(20-10)21-11(2)27)16-17(22-13-6-8-25(3)24-13)23-15-5-4-7-18-26(15)16/h4-9H,1-3H3,(H,22,24)(H,19,20,21,27) | 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 | 1.66E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of PI3Kalpha by AlphaScreen assay |
Bioorg Med Chem Lett 22: 4967-74 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.033 BindingDB Entry DOI: 10.7270/Q2BK1DHN |
More data for this Ligand-Target Pair | |