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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
7
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Target
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat))
Merck Frosst Centre For Therapeutic Research
Curated by
ChEMBL
Ligand
BDBM50301057
(2-(4-(2-(trifluoromethyl)benzoyl)piperazin-1-yl)th...)
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Affinity Data
IC50: 100nM
Assay Description:
Inhibition of SCD1 in rat liver microsomes assessed as formation of oleoyl-CoA from 9,10-3H-steroyl-CoA
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Target
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat))
Merck Frosst Centre For Therapeutic Research
Curated by
ChEMBL
Ligand
BDBM50301057
(2-(4-(2-(trifluoromethyl)benzoyl)piperazin-1-yl)th...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 100nM
Assay Description:
Inhibition of rat SCD by rat microsomal assay
More data for this Ligand-Target Pair
Target Info
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Article
PubMed
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Target
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat))
Merck Frosst Centre For Therapeutic Research
Curated by
ChEMBL
Ligand
BDBM50301057
(2-(4-(2-(trifluoromethyl)benzoyl)piperazin-1-yl)th...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 106nM
Assay Description:
Inhibition of SCD1 in Wistar rat liver microsome assessed as [3H]stearoyl-CoA to [3H]oleoyl-CoA conversion pretreated 1 hr before [3H]stearoyl-CoA ad...
More data for this Ligand-Target Pair
Target Info
PDB
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Target
Stearoyl-CoA desaturase
(Homo sapiens (Human))
Merck Frosst Centre For Therapeutic Research
Curated by
ChEMBL
Ligand
BDBM50301057
(2-(4-(2-(trifluoromethyl)benzoyl)piperazin-1-yl)th...)
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Affinity Data
IC50: 254nM
Assay Description:
Inhibition of SCD1 in human HepG2 cells assessed as [14C]stearic acid to [14C]oleic acid conversion pretreated 15 mins before [14C]stearic acid addit...
More data for this Ligand-Target Pair
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Target
Stearoyl-CoA desaturase
(Homo sapiens (Human))
Merck Frosst Centre For Therapeutic Research
Curated by
ChEMBL
Ligand
BDBM50301057
(2-(4-(2-(trifluoromethyl)benzoyl)piperazin-1-yl)th...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 300nM
Assay Description:
Inhibition of SCD1 in human HepG2 cells by whole cell assay
More data for this Ligand-Target Pair
Target Info
PDB
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antibodypedia
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CHEMBL
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Article
PubMed
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Target
Acyl-CoA 6-desaturase
(Homo sapiens (Human))
Merck Frosst Centre For Therapeutic Research
Curated by
ChEMBL
Ligand
BDBM50301057
(2-(4-(2-(trifluoromethyl)benzoyl)piperazin-1-yl)th...)
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Affinity Data
IC50: >1.00E+4nM
Assay Description:
Binding affinity to delta-6 saturase in human HepG2 cells by whole cell assay
More data for this Ligand-Target Pair
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Target
Acyl-CoA (8-3)-desaturase
(Homo sapiens (Human))
Merck Frosst Centre For Therapeutic Research
Curated by
ChEMBL
Ligand
BDBM50301057
(2-(4-(2-(trifluoromethyl)benzoyl)piperazin-1-yl)th...)
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Affinity Data
IC50: >5.00E+4nM
Assay Description:
Binding affinity to delta-5 saturase in human HepG2 cells by whole cell assay
More data for this Ligand-Target Pair
Target Info
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