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Target
Sequence
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Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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Ki
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null
SMILES:
CSCC1(C)CN(c2c1ncnc2N)c1ccc2oc(N)nc2c1
InChI Key:
Find this compound or compounds like it in BindingDB or PDB:
Substructure
Similarity at least:
must be >=0.5
Exact match
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found
4
hits for monomerid = 582479
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human))
BDBM582479
(5-(2-aminobenzoxazol-5-yl)-7-methyl-7-methylsulfan...)
Show SMILES
CSCC1(C)CN(c2c1ncnc2N)c1ccc2oc(N)nc2c1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
2.40
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/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))
BDBM582479
(5-(2-aminobenzoxazol-5-yl)-7-methyl-7-methylsulfan...)
Show SMILES
CSCC1(C)CN(c2c1ncnc2N)c1ccc2oc(N)nc2c1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
US Patent
3.60
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
The model for screening the inhibitory activity of the molecules on mTOR was developed with the LANTHASCREEN™ technology (Lifetechnologies). The reac...
Citation and Details
BindingDB Entry DOI:
10.7270/Q2XP78RQ
More data for this
Ligand-Target Pair
Target of rapamycin complex 2 subunit MAPKAP1
(Homo sapiens)
BDBM582479
(5-(2-aminobenzoxazol-5-yl)-7-methyl-7-methylsulfan...)
Show SMILES
CSCC1(C)CN(c2c1ncnc2N)c1ccc2oc(N)nc2c1
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
6.30
n/a
n/a
n/a
n/a
n/a
n/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
Target of rapamycin complex subunit LST8
(Homo sapiens)
BDBM582479
(5-(2-aminobenzoxazol-5-yl)-7-methyl-7-methylsulfan...)
Show SMILES
CSCC1(C)CN(c2c1ncnc2N)c1ccc2oc(N)nc2c1
Show InChI
PDB
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
4.20
n/a
n/a
n/a
n/a
n/a
n/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
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