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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for assayid = 4 entry = 50011289   
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))
BDBM50546185
PNG
(CHEMBL4749136)
Show SMILES [H][C@]12CC[C@]([H])(COC1)N2c1nc(nc(n1)-c1cnc(N)nc1C(F)F)N1CCOCC1 |r|
PDB
MMDB

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UniProtKB/SwissProt

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PC sid
UniChem
Article
PubMed
14n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of alexa fluor 647-labeled kinase tracer 314 from recombinant human N-terminal GST-fused mTOR (1360 to 2549 residues) expressed in bacul...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00333
BindingDB Entry DOI: 10.7270/Q2VT1WPR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50546184
PNG
(CHEMBL4758284)
Show SMILES C[C@@H]1COCCN1c1nc(nc(n1)-c1cnc(N)nc1C(F)F)N1CCOCC1 |r|
PDB
MMDB

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UniChem
Article
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21n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of alexa fluor 647-labeled kinase tracer 314 from recombinant human N-terminal GST-fused mTOR (1360 to 2549 residues) expressed in bacul...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00333
BindingDB Entry DOI: 10.7270/Q2VT1WPR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50546186
PNG
(CHEMBL4754767)
Show SMILES [H][C@]12CC[C@]([H])(CN(C1)c1nc(nc(n1)-c1cnc(N)nc1C(F)F)N1CCOCC1)O2 |r|
PDB
MMDB

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29n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of alexa fluor 647-labeled kinase tracer 314 from recombinant human N-terminal GST-fused mTOR (1360 to 2549 residues) expressed in bacul...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00333
BindingDB Entry DOI: 10.7270/Q2VT1WPR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50546183
PNG
(CHEMBL4744705)
Show SMILES Nc1ncc(-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)c(n1)C(F)F
PDB
MMDB

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UniProtKB/SwissProt

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UniChem
Article
PubMed
33n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of alexa fluor 647-labeled kinase tracer 314 from recombinant human N-terminal GST-fused mTOR (1360 to 2549 residues) expressed in bacul...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00333
BindingDB Entry DOI: 10.7270/Q2VT1WPR
More data for this
Ligand-Target Pair