BDBM50362592 CHEMBL1938870
SMILES: OC(=O)Cn1nnc(n1)-c1cc(no1)N1CCC(CC1)Oc1cc(F)ccc1Br
InChI Key: InChIKey=UJEAABFSXKCSGI-UHFFFAOYSA-N
Data: 14 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Stearoyl-CoA desaturase 1 (SCD1) (Rattus norvegicus (Rat)) | BDBM50362592 (CHEMBL1938870) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description Inhibition of SCD-1 activity in Sprague-Dawley rat microsome assessed as reduction in [I-14C] stearoyl CoA desaturation by scintillation counting | J Med Chem 54: 5082-96 (2011) Article DOI: 10.1021/jm200319u BindingDB Entry DOI: 10.7270/Q2348MGP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Stearoyl-CoA desaturase 1 (Homo sapiens (Human)) | BDBM50362592 (CHEMBL1938870) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 1.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | 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... | J Med Chem 54: 5082-96 (2011) Article DOI: 10.1021/jm200319u BindingDB Entry DOI: 10.7270/Q2348MGP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Stearoyl-CoA desaturase 1 (SCD1) (Rattus norvegicus (Rat)) | BDBM50362592 (CHEMBL1938870) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description Inhibition of SCD-1 activity in Sprague-Dawley rat Hepatocytes expressing organic anion transporting polypeptides assessed as reduction in [I-14C] st... | J Med Chem 54: 5082-96 (2011) Article DOI: 10.1021/jm200319u BindingDB Entry DOI: 10.7270/Q2348MGP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Stearoyl-CoA desaturase 1 (Homo sapiens (Human)) | BDBM50362592 (CHEMBL1938870) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description Inhibition of human SCD-1 | J Med Chem 54: 5082-96 (2011) Article DOI: 10.1021/jm200319u BindingDB Entry DOI: 10.7270/Q2348MGP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Stearoyl-CoA desaturase 1 (SCD1) (Rattus norvegicus (Rat)) | BDBM50362592 (CHEMBL1938870) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description Inhibition of rat SCD-1 | J Med Chem 54: 5082-96 (2011) Article DOI: 10.1021/jm200319u BindingDB Entry DOI: 10.7270/Q2348MGP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acyl-CoA desaturase 1 (Mus musculus) | BDBM50362592 (CHEMBL1938870) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description Inhibition of mouse SCD-1 | J Med Chem 54: 5082-96 (2011) Article DOI: 10.1021/jm200319u BindingDB Entry DOI: 10.7270/Q2348MGP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Stearoyl-CoA desaturase 1 (SCD1) (Rattus norvegicus (Rat)) | BDBM50362592 (CHEMBL1938870) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description Inhibition of SCD1 in rat hepatocytes expressing OATP | Bioorg Med Chem Lett 22: 623-7 (2011) Article DOI: 10.1016/j.bmcl.2011.10.070 BindingDB Entry DOI: 10.7270/Q26M379R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Fatty acid desaturase 1 (Homo sapiens (Human)) | BDBM50362592 (CHEMBL1938870) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | >1.00E+8 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description Inhibition of human delta-5 desaturase activity expressed in human HEpG2 cells | J Med Chem 54: 5082-96 (2011) Article DOI: 10.1021/jm200319u BindingDB Entry DOI: 10.7270/Q2348MGP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Fatty acid desaturase 2 (Rattus norvegicus) | BDBM50362592 (CHEMBL1938870) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | >1.00E+8 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description Inhibition of rat delta-6 desaturase activity expressed in human HEpG2 cells | J Med Chem 54: 5082-96 (2011) Article DOI: 10.1021/jm200319u BindingDB Entry DOI: 10.7270/Q2348MGP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Fatty acid desaturase 2 (Homo sapiens (Human)) | BDBM50362592 (CHEMBL1938870) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | >1.00E+8 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description Inhibition of human delta6 desaturase activity expressed in human HEpG2 cells | J Med Chem 54: 5082-96 (2011) Article DOI: 10.1021/jm200319u BindingDB Entry DOI: 10.7270/Q2348MGP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Stearoyl-CoA desaturase 1 (Homo sapiens (Human)) | BDBM50362592 (CHEMBL1938870) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description Inhibition of SCD-1 activity in human Hepatocytes expressing organic anion transporting polypeptides assessed as reduction in [I-14C] stearoyl CoA de... | J Med Chem 54: 5082-96 (2011) Article DOI: 10.1021/jm200319u BindingDB Entry DOI: 10.7270/Q2348MGP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acyl-CoA desaturase 1 (Mus musculus) | BDBM50362592 (CHEMBL1938870) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description Inhibition of mouse SCD-1 | Bioorg Med Chem Lett 22: 980-4 (2012) Article DOI: 10.1016/j.bmcl.2011.12.002 BindingDB Entry DOI: 10.7270/Q2833SHH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Stearoyl-CoA desaturase 1 (Homo sapiens (Human)) | BDBM50362592 (CHEMBL1938870) | PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 1.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description Inhibition of SCD1 in OATP-deficient human HepG2 cells by whole cell assay | Bioorg Med Chem Lett 22: 623-7 (2011) Article DOI: 10.1016/j.bmcl.2011.10.070 BindingDB Entry DOI: 10.7270/Q26M379R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Fatty acid desaturase 1 (Rattus norvegicus) | BDBM50362592 (CHEMBL1938870) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | >1.00E+8 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL | Assay Description Inhibition of rat delta-5 desaturase activity expressed in human HEpG2 cells | J Med Chem 54: 5082-96 (2011) Article DOI: 10.1021/jm200319u BindingDB Entry DOI: 10.7270/Q2348MGP | |||||||||||
More data for this Ligand-Target Pair |