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Compile Data Set for Download or QSAR
maximum 50k data
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
5
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Target
Acyl-CoA desaturase 1
(Mus musculus)
Daiichi Sankyo
Curated by
ChEMBL
Ligand
BDBM50304937
(CHEMBL591796 | N-phenethyl-6-(4-(2-(trifluoromethy...)
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Affinity Data
IC50: 6nM
Assay Description:
Inhibition of Scd1 in mouse liver microsomes assessed as conversion of [14C]stearate to [14C]oleate pretreated for 10 mins measured after 60 mins
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Similars
In Depth
Details
Article
PubMed
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Target
Stearoyl-CoA desaturase
(Homo sapiens (Human))
Daiichi Sankyo
Curated by
ChEMBL
Ligand
BDBM50304937
(CHEMBL591796 | N-phenethyl-6-(4-(2-(trifluoromethy...)
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Copy InChI
Affinity Data
IC50: 9nM
Assay Description:
Inhibition of Scd1 in human HEK-293A cell microsomes assessed as conversion of [14C]stearate to [14C]oleate pretreated for 10 mins measured after 60 ...
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Acyl-CoA desaturase 1
(Mus musculus)
Daiichi Sankyo
Curated by
ChEMBL
Ligand
BDBM50304937
(CHEMBL591796 | N-phenethyl-6-(4-(2-(trifluoromethy...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 18nM
Assay Description:
Inhibition of SCD1 in ICR mouse liver microsome using [9,10 3H]- stearoyl-Coenzyme A substrate assessed as decreased production of tritiated water af...
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI
Target
Stearoyl-CoA desaturase
(Homo sapiens (Human))
Daiichi Sankyo
Curated by
ChEMBL
Ligand
BDBM50304937
(CHEMBL591796 | N-phenethyl-6-(4-(2-(trifluoromethy...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 18nM
Assay Description:
Inhibition of SCD1 in human HepG2 cells using [14C]-stearate substrate assessed as decreased production of [14C]-oleic acid after 24 hrs
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Similars
In Depth
Details
Article
PubMed
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Target
dCTP pyrophosphatase 1
(Homo sapiens (Human))
Karolinska Institutet
Curated by
ChEMBL
Ligand
BDBM50304937
(CHEMBL591796 | N-phenethyl-6-(4-(2-(trifluoromethy...)
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Affinity Data
IC50: 2.80E+3nM
Assay Description:
Inhibition of human full length N-terminal His-tagged dCTPase expressed in Escherichia coli BL21(DE3) using dCTP as substrate by HTS-based malachite ...
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI