BDBM50396296 CHEMBL2172477
SMILES: CC(=O)Nc1cc(nc(C)n1)-c1c(Nc2ccn(C)n2)nc2ccc(cn12)-c1cccnc1C
InChI Key: InChIKey=YQTDIAJNWCPLOM-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50396296 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)) | BDBM50396296
(CHEMBL2172477)Show SMILES CC(=O)Nc1cc(nc(C)n1)-c1c(Nc2ccn(C)n2)nc2ccc(cn12)-c1cccnc1C Show InChI InChI=1S/C24H23N9O/c1-14-18(6-5-10-25-14)17-7-8-22-30-24(29-20-9-11-32(4)31-20)23(33(22)13-17)19-12-21(28-16(3)34)27-15(2)26-19/h5-13H,1-4H3,(H,29,31)(H,26,27,28,34) | 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 | 15 | 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)) | BDBM50396296
(CHEMBL2172477)Show SMILES CC(=O)Nc1cc(nc(C)n1)-c1c(Nc2ccn(C)n2)nc2ccc(cn12)-c1cccnc1C Show InChI InChI=1S/C24H23N9O/c1-14-18(6-5-10-25-14)17-7-8-22-30-24(29-20-9-11-32(4)31-20)23(33(22)13-17)19-12-21(28-16(3)34)27-15(2)26-19/h5-13H,1-4H3,(H,29,31)(H,26,27,28,34) | 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 | 4.29E+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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