Found 8 hits in this display Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Acyl-CoA desaturase 1
(Mus musculus) | BDBM50362583
(CHEMBL1938871)Show SMILES OC(=O)Cn1nnc(n1)-c1cc(no1)N1CC2CN(CC2C1)c1cc(F)ccc1Cl Show InChI InChI=1S/C18H17ClFN7O3/c19-13-2-1-12(20)3-14(13)25-5-10-7-26(8-11(10)6-25)16-4-15(30-23-16)18-21-24-27(22-18)9-17(28)29/h1-4,10-11H,5-9H2,(H,28,29) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 18 | 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 | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50362583
(CHEMBL1938871)Show SMILES OC(=O)Cn1nnc(n1)-c1cc(no1)N1CC2CN(CC2C1)c1cc(F)ccc1Cl Show InChI InChI=1S/C18H17ClFN7O3/c19-13-2-1-12(20)3-14(13)25-5-10-7-26(8-11(10)6-25)16-4-15(30-23-16)18-21-24-27(22-18)9-17(28)29/h1-4,10-11H,5-9H2,(H,28,29) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 24 | 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 rat liver microsomes assessed as reduction in [1-14C] stearoyl CoA desaturation by scintillation counting |
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
(Homo sapiens (Human)) | BDBM50362583
(CHEMBL1938871)Show SMILES OC(=O)Cn1nnc(n1)-c1cc(no1)N1CC2CN(CC2C1)c1cc(F)ccc1Cl Show InChI InChI=1S/C18H17ClFN7O3/c19-13-2-1-12(20)3-14(13)25-5-10-7-26(8-11(10)6-25)16-4-15(30-23-16)18-21-24-27(22-18)9-17(28)29/h1-4,10-11H,5-9H2,(H,28,29) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 27 | 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 |
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 | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50362583
(CHEMBL1938871)Show SMILES OC(=O)Cn1nnc(n1)-c1cc(no1)N1CC2CN(CC2C1)c1cc(F)ccc1Cl Show InChI InChI=1S/C18H17ClFN7O3/c19-13-2-1-12(20)3-14(13)25-5-10-7-26(8-11(10)6-25)16-4-15(30-23-16)18-21-24-27(22-18)9-17(28)29/h1-4,10-11H,5-9H2,(H,28,29) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 198 | 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 rat hepatocytes expressing organic anion transporting polypeptides assessed as reduction in [1-14C] stearoyl CoA desa... |
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 5
(Homo sapiens (Human)) | BDBM50362583
(CHEMBL1938871)Show SMILES OC(=O)Cn1nnc(n1)-c1cc(no1)N1CC2CN(CC2C1)c1cc(F)ccc1Cl Show InChI InChI=1S/C18H17ClFN7O3/c19-13-2-1-12(20)3-14(13)25-5-10-7-26(8-11(10)6-25)16-4-15(30-23-16)18-21-24-27(22-18)9-17(28)29/h1-4,10-11H,5-9H2,(H,28,29) | KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 242 | 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-5 |
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
(Homo sapiens (Human)) | BDBM50362583
(CHEMBL1938871)Show SMILES OC(=O)Cn1nnc(n1)-c1cc(no1)N1CC2CN(CC2C1)c1cc(F)ccc1Cl Show InChI InChI=1S/C18H17ClFN7O3/c19-13-2-1-12(20)3-14(13)25-5-10-7-26(8-11(10)6-25)16-4-15(30-23-16)18-21-24-27(22-18)9-17(28)29/h1-4,10-11H,5-9H2,(H,28,29) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 9.90E+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 [1-14C] stearoyl CoA des... |
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 | |
Acyl-CoA 6-desaturase
(Homo sapiens (Human)) | BDBM50362583
(CHEMBL1938871)Show SMILES OC(=O)Cn1nnc(n1)-c1cc(no1)N1CC2CN(CC2C1)c1cc(F)ccc1Cl Show InChI InChI=1S/C18H17ClFN7O3/c19-13-2-1-12(20)3-14(13)25-5-10-7-26(8-11(10)6-25)16-4-15(30-23-16)18-21-24-27(22-18)9-17(28)29/h1-4,10-11H,5-9H2,(H,28,29) | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >8.00E+4 | 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-6 desaturase activity in human HepG2 cells using [1-14C]-stearic acid tracer |
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 | |
Acyl-CoA (8-3)-desaturase
(Homo sapiens (Human)) | BDBM50362583
(CHEMBL1938871)Show SMILES OC(=O)Cn1nnc(n1)-c1cc(no1)N1CC2CN(CC2C1)c1cc(F)ccc1Cl Show InChI InChI=1S/C18H17ClFN7O3/c19-13-2-1-12(20)3-14(13)25-5-10-7-26(8-11(10)6-25)16-4-15(30-23-16)18-21-24-27(22-18)9-17(28)29/h1-4,10-11H,5-9H2,(H,28,29) | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >8.00E+4 | 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 in human HepG2 cells using [1-14C]-stearic acid tracer |
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 | |