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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Target of rapamycin complex subunit LST8' and Ligand = 'BDBM50341209'   
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 subunit LST8


(Homo sapiens)
BDBM50341209
PNG
(9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...)
Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4cccc(c4)C(F)(F)F)c3c2c1
Show InChI InChI=1S/C24H15F3N4O/c25-24(26,27)17-2-1-3-18(11-17)31-22(32)9-6-16-13-29-20-7-4-14(10-19(20)23(16)31)15-5-8-21(28)30-12-15/h1-13H,(H2,28,30)
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
MCE
MMDB
PC cid
PC sid
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PDB
Article
PubMed
n/an/a<10n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of N-terminally FLAG-tagged mTORC1 (unknown origin) expressed in HEK293T cells using S6K1 or Akt1 as substrate after 20 mins by immunoblot...


J Med Chem 61: 4656-4687 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01019
BindingDB Entry DOI: 10.7270/Q2RR22GW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Target of rapamycin complex subunit LST8


(Homo sapiens)
BDBM50341209
PNG
(9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...)
Show SMILES Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4cccc(c4)C(F)(F)F)c3c2c1
Show InChI InChI=1S/C24H15F3N4O/c25-24(26,27)17-2-1-3-18(11-17)31-22(32)9-6-16-13-29-20-7-4-14(10-19(20)23(16)31)15-5-8-21(28)30-12-15/h1-13H,(H2,28,30)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/an/an/a 0.25n/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of mTORC1 in human HCT116 cells assessed as reduction in T389 phosphorylation on RPS6KB1 after 1 hr by Western blot analysis


J Med Chem 61: 4656-4687 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01019
BindingDB Entry DOI: 10.7270/Q2RR22GW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)