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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase mTOR' and Ligand = 'BDBM151001'   
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))
BDBM151001
PNG
(US8987257, 14)
Show SMILES C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2nc([nH]c2n1)-c1ccc2cc[nH]c2c1 |r|
Show InChI InChI=1S/C23H25N7O2/c1-14-12-31-9-7-29(14)22-19-21(27-23(28-22)30-8-10-32-13-15(30)2)26-20(25-19)17-4-3-16-5-6-24-18(16)11-17/h3-6,11,14-15H,7-10,12-13H2,1-2H3/b20-17-/t14-,15-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114498
BindingDB Entry DOI: 10.7270/Q2ZG6XB2
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM151001
PNG
(US8987257, 14)
Show SMILES C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2nc([nH]c2n1)-c1ccc2cc[nH]c2c1 |r|
Show InChI InChI=1S/C23H25N7O2/c1-14-12-31-9-7-29(14)22-19-21(27-23(28-22)30-8-10-32-13-15(30)2)26-20(25-19)17-4-3-16-5-6-24-18(16)11-17/h3-6,11,14-15H,7-10,12-13H2,1-2H3/b20-17-/t14-,15-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 7n/an/an/an/a7.525



Novartis AG

US Patent


Assay Description
IC50s for mTOR interacting compounds were assessed using the FRAP1/mTOR TR-FRET tracer assay (Invitrogen by Life Technologies). FRAP1/mTOR (PV4753) a...


US Patent US8987257 (2015)


BindingDB Entry DOI: 10.7270/Q2S75F2B
More data for this
Ligand-Target Pair