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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
9
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Target
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat))
Merck Frosst Centre For Therapeutic Research
Curated by
ChEMBL
Ligand
BDBM50305768
(2-methyl-5-(6-(4-(2-(trifluoromethyl)phenoxy)piper...)
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Affinity Data
IC50: 2nM
Assay Description:
Inhibition of SCD-1 activity in Sprague-Dawley rat microsome assessed as reduction in [I-14C] stearoyl CoA desaturation by scintillation counting
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Target
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat))
Merck Frosst Centre For Therapeutic Research
Curated by
ChEMBL
Ligand
BDBM50305768
(2-methyl-5-(6-(4-(2-(trifluoromethyl)phenoxy)piper...)
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Affinity Data
IC50: 2nM
Assay Description:
Inhibition of rat SCD by rat microsomal assay
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Target
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat))
Merck Frosst Centre For Therapeutic Research
Curated by
ChEMBL
Ligand
BDBM50305768
(2-methyl-5-(6-(4-(2-(trifluoromethyl)phenoxy)piper...)
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Copy InChI
Affinity Data
IC50: 2.30nM
Assay Description:
Inhibition of SCD1 in rat liver microsomes
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
BDBM50305768
(2-methyl-5-(6-(4-(2-(trifluoromethyl)phenoxy)piper...)
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Affinity Data
IC50: 21nM
Assay Description:
Inhibition of SCD-1 activity in organic anion transporting polypeptides-deficient human HepG2 cells assessed as reduction in [I-14C] stearoyl CoA des...
More data for this Ligand-Target Pair
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Target
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat))
Merck Frosst Centre For Therapeutic Research
Curated by
ChEMBL
Ligand
BDBM50305768
(2-methyl-5-(6-(4-(2-(trifluoromethyl)phenoxy)piper...)
Copy SMILES
Copy InChI
Affinity Data
IC50: 157nM
Assay Description:
Inhibition of SCD-1 activity in Sprague-Dawley rat Hepatocytes expressing organic anion transporting polypeptides assessed as reduction in [I-14C] st...
More data for this Ligand-Target Pair
Target Info
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Target
Acyl-CoA 6-desaturase
(Homo sapiens (Human))
Merck Frosst Centre For Therapeutic Research
Curated by
ChEMBL
Ligand
BDBM50305768
(2-methyl-5-(6-(4-(2-(trifluoromethyl)phenoxy)piper...)
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Affinity Data
IC50: >1.00E+8nM
Assay Description:
Inhibition of human delta6 desaturase activity expressed in human HEpG2 cells
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Target
Acyl-CoA 6-desaturase
(Rattus norvegicus)
Merck Frosst Centre For Therapeutic Research
Curated by
ChEMBL
Ligand
BDBM50305768
(2-methyl-5-(6-(4-(2-(trifluoromethyl)phenoxy)piper...)
Copy SMILES
Copy InChI
Affinity Data
IC50: >1.00E+8nM
Assay Description:
Inhibition of rat delta-6 desaturase activity expressed in human HEpG2 cells
More data for this Ligand-Target Pair
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Target
Acyl-CoA (8-3)-desaturase
(Rattus norvegicus)
Merck Frosst Centre For Therapeutic Research
Curated by
ChEMBL
Ligand
BDBM50305768
(2-methyl-5-(6-(4-(2-(trifluoromethyl)phenoxy)piper...)
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Affinity Data
IC50: >1.00E+8nM
Assay Description:
Inhibition of rat delta-5 desaturase activity expressed in human HEpG2 cells
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
BDBM50305768
(2-methyl-5-(6-(4-(2-(trifluoromethyl)phenoxy)piper...)
Copy SMILES
Copy InChI
Affinity Data
IC50: >1.00E+8nM
Assay Description:
Inhibition of human delta-5 desaturase activity expressed in human HEpG2 cells
More data for this Ligand-Target Pair
Target Info
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
Ligand Info
Purchase
CHEMBL
PC cid
PC sid
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In Depth
Details
Article
PubMed
Copy BDB DOI