BDBM50396300 CHEMBL2172487
SMILES: CC(=O)Nc1cccc(c1)-c1ccc2nc(Nc3ccn[nH]3)c(-c3nc(C)nc(N)n3)n2c1
InChI Key: InChIKey=ZOHYOLFOCULNKX-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50396300 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)) | BDBM50396300
(CHEMBL2172487)Show SMILES CC(=O)Nc1cccc(c1)-c1ccc2nc(Nc3ccn[nH]3)c(-c3nc(C)nc(N)n3)n2c1 Show InChI InChI=1S/C22H20N10O/c1-12-25-20(30-22(23)26-12)19-21(28-17-8-9-24-31-17)29-18-7-6-15(11-32(18)19)14-4-3-5-16(10-14)27-13(2)33/h3-11H,1-2H3,(H,27,33)(H2,24,28,31)(H2,23,25,26,30) | 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 | 10 | 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)) | BDBM50396300
(CHEMBL2172487)Show SMILES CC(=O)Nc1cccc(c1)-c1ccc2nc(Nc3ccn[nH]3)c(-c3nc(C)nc(N)n3)n2c1 Show InChI InChI=1S/C22H20N10O/c1-12-25-20(30-22(23)26-12)19-21(28-17-8-9-24-31-17)29-18-7-6-15(11-32(18)19)14-4-3-5-16(10-14)27-13(2)33/h3-11H,1-2H3,(H,27,33)(H2,24,28,31)(H2,23,25,26,30) | 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 | 96 | 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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