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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50389288   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50389288
PNG
(CHEMBL2063753)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2CS(=O)(=O)Cc2c(n1)N1CCOC[C@@H]1C |r|
Show InChI InChI=1S/C20H25N5O4S/c1-3-21-20(26)22-15-6-4-14(5-7-15)18-23-17-12-30(27,28)11-16(17)19(24-18)25-8-9-29-10-13(25)2/h4-7,13H,3,8-12H2,1-2H3,(H2,21,22,26)/t13-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
15n/an/an/an/an/an/an/an/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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50389288
PNG
(CHEMBL2063753)
Show SMILES CCNC(=O)Nc1ccc(cc1)-c1nc2CS(=O)(=O)Cc2c(n1)N1CCOC[C@@H]1C |r|
Show InChI InChI=1S/C20H25N5O4S/c1-3-21-20(26)22-15-6-4-14(5-7-15)18-23-17-12-30(27,28)11-16(17)19(24-18)25-8-9-29-10-13(25)2/h4-7,13H,3,8-12H2,1-2H3,(H2,21,22,26)/t13-/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
1.27E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


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