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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Target of rapamycin complex 2 subunit MAPKAP1' and Ligand = 'BDBM50529396'   
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
Target of rapamycin complex 2 subunit MAPKAP1


(Homo sapiens)
BDBM50529396
PNG
(CHEMBL4538629)
Show SMILES CCCCn1nc(-c2ccc3oc(N)nc3c2)c2c(C)nc(N)nc12
Show InChI InChI=1S/C17H19N7O/c1-3-4-7-24-15-13(9(2)20-16(18)22-15)14(23-24)10-5-6-12-11(8-10)21-17(19)25-12/h5-6,8H,3-4,7H2,1-2H3,(H2,19,21)(H2,18,20,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 90n/an/an/an/an/an/a



Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of mTORC2 in human A431 cells assessed as AKT phosphorylation at S473 residue incubated for 3 hrs by HTRF assay


ACS Med Chem Lett 10: 1561-1567 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00401
BindingDB Entry DOI: 10.7270/Q2P272KM
More data for this
Ligand-Target Pair