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Target
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IC50
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EC50
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ΔH°
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null
SMILES:
COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NC[C@H]1CCN(C1)c1ncnc3c(C)c-2sc13
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
3
hits for monomerid = 50579640
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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human))
BDBM50579640
(CHEMBL4860117)
Show SMILES
COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NC[C@H]1CCN(C1)c1ncnc3c(C)c-2sc13 |r|
Show InChI
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KEGG
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antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
3.20
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of PI3Kalpha (unknown origin) by ADP-Glo assay
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00412
BindingDB Entry DOI:
10.7270/Q2FX7F91
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human))
BDBM50579640
(CHEMBL4860117)
Show SMILES
COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NC[C@H]1CCN(C1)c1ncnc3c(C)c-2sc13 |r|
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
44
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human PIM1 using ARKRRRHPSGPPTA as substrate measured after 1.5 hrs by ADP hunter plus assay
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00412
BindingDB Entry DOI:
10.7270/Q2FX7F91
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human))
BDBM50579640
(CHEMBL4860117)
Show SMILES
COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NC[C@H]1CCN(C1)c1ncnc3c(C)c-2sc13 |r|
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of mTOR (unknown origin) by LanthaScreen assay
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00412
BindingDB Entry DOI:
10.7270/Q2FX7F91
More data for this
Ligand-Target Pair
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