BDBM50396294 CHEMBL2172479
SMILES: CC(=O)Nc1cc(nc(C)n1)-c1c(Nc2ccn(C)n2)nc2ccc(cn12)-c1cnco1
InChI Key: InChIKey=XSGOPXVWIFLLDO-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50396294 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)) | BDBM50396294
(CHEMBL2172479)Show SMILES CC(=O)Nc1cc(nc(C)n1)-c1c(Nc2ccn(C)n2)nc2ccc(cn12)-c1cnco1 Show InChI InChI=1S/C21H19N9O2/c1-12-23-15(8-18(24-12)25-13(2)31)20-21(26-17-6-7-29(3)28-17)27-19-5-4-14(10-30(19)20)16-9-22-11-32-16/h4-11H,1-3H3,(H,26,28)(H,23,24,25,31) | 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 | 20 | 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)) | BDBM50396294
(CHEMBL2172479)Show SMILES CC(=O)Nc1cc(nc(C)n1)-c1c(Nc2ccn(C)n2)nc2ccc(cn12)-c1cnco1 Show InChI InChI=1S/C21H19N9O2/c1-12-23-15(8-18(24-12)25-13(2)31)20-21(26-17-6-7-29(3)28-17)27-19-5-4-14(10-30(19)20)16-9-22-11-32-16/h4-11H,1-3H3,(H,26,28)(H,23,24,25,31) | 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 | 3.17E+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 | |
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