Found 6 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 (8-3)-desaturase
(Homo sapiens (Human)) | BDBM50535222
(CHEMBL4439992)Show SMILES CC(=O)NCCSc1nc2cscc2c(=O)n1-c1ccc(OCC(F)(F)F)cc1 Show InChI InChI=1S/C18H16F3N3O3S2/c1-11(25)22-6-7-29-17-23-15-9-28-8-14(15)16(26)24(17)12-2-4-13(5-3-12)27-10-18(19,20)21/h2-5,8-9H,6-7,10H2,1H3,(H,22,25) | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd.
Curated by ChEMBL
| Assay Description Inhibition of D5D in human HepG2 cells using [14C]DGLA as substrate preincubated for 30 mins followed by substrate addition measured after 3 hrs |
ACS Med Chem Lett 7: 868-72 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00241 BindingDB Entry DOI: 10.7270/Q2FN19QQ |
More data for this Ligand-Target Pair | |
Acyl-CoA (8-3)-desaturase
(Rattus norvegicus) | BDBM50535222
(CHEMBL4439992)Show SMILES CC(=O)NCCSc1nc2cscc2c(=O)n1-c1ccc(OCC(F)(F)F)cc1 Show InChI InChI=1S/C18H16F3N3O3S2/c1-11(25)22-6-7-29-17-23-15-9-28-8-14(15)16(26)24(17)12-2-4-13(5-3-12)27-10-18(19,20)21/h2-5,8-9H,6-7,10H2,1H3,(H,22,25) | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
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MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd.
Curated by ChEMBL
| Assay Description Inhibition of D5D in rat RLN10 cells using [14C]DGLA as substrate preincubated for 30 mins followed by substrate addition measured after 3 hrs |
ACS Med Chem Lett 7: 868-72 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00241 BindingDB Entry DOI: 10.7270/Q2FN19QQ |
More data for this Ligand-Target Pair | |
Acyl-CoA (8-3)-desaturase
(Rattus norvegicus) | BDBM50535222
(CHEMBL4439992)Show SMILES CC(=O)NCCSc1nc2cscc2c(=O)n1-c1ccc(OCC(F)(F)F)cc1 Show InChI InChI=1S/C18H16F3N3O3S2/c1-11(25)22-6-7-29-17-23-15-9-28-8-14(15)16(26)24(17)12-2-4-13(5-3-12)27-10-18(19,20)21/h2-5,8-9H,6-7,10H2,1H3,(H,22,25) | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
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MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd.
Curated by ChEMBL
| Assay Description Inhibition of D5D in Sprague-Dawley rat liver microsomes using [14C]DGLA as substrate preincubated for 5 mins measured after 120 mins |
ACS Med Chem Lett 7: 868-72 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00241 BindingDB Entry DOI: 10.7270/Q2FN19QQ |
More data for this Ligand-Target Pair | |
Acyl-CoA 6-desaturase
(Rattus norvegicus) | BDBM50535222
(CHEMBL4439992)Show SMILES CC(=O)NCCSc1nc2cscc2c(=O)n1-c1ccc(OCC(F)(F)F)cc1 Show InChI InChI=1S/C18H16F3N3O3S2/c1-11(25)22-6-7-29-17-23-15-9-28-8-14(15)16(26)24(17)12-2-4-13(5-3-12)27-10-18(19,20)21/h2-5,8-9H,6-7,10H2,1H3,(H,22,25) | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
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MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd.
Curated by ChEMBL
| Assay Description Inhibition of D6D in Sprague-Dawley rat liver microsomes using [14C]LA as substrate preincubated for 5 mins measured after 30 mins |
ACS Med Chem Lett 7: 868-72 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00241 BindingDB Entry DOI: 10.7270/Q2FN19QQ |
More data for this Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50535222
(CHEMBL4439992)Show SMILES CC(=O)NCCSc1nc2cscc2c(=O)n1-c1ccc(OCC(F)(F)F)cc1 Show InChI InChI=1S/C18H16F3N3O3S2/c1-11(25)22-6-7-29-17-23-15-9-28-8-14(15)16(26)24(17)12-2-4-13(5-3-12)27-10-18(19,20)21/h2-5,8-9H,6-7,10H2,1H3,(H,22,25) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
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MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd.
Curated by ChEMBL
| Assay Description Inhibition of SCD in Sprague-Dawley rat liver microsomes using [14C]stearoyl-CoA as substrate preincubated for 5 mins measured after 30 mins |
ACS Med Chem Lett 7: 868-72 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00241 BindingDB Entry DOI: 10.7270/Q2FN19QQ |
More data for this Ligand-Target Pair | |
Acyl-CoA (8-3)-desaturase
(Rattus norvegicus) | BDBM50535222
(CHEMBL4439992)Show SMILES CC(=O)NCCSc1nc2cscc2c(=O)n1-c1ccc(OCC(F)(F)F)cc1 Show InChI InChI=1S/C18H16F3N3O3S2/c1-11(25)22-6-7-29-17-23-15-9-28-8-14(15)16(26)24(17)12-2-4-13(5-3-12)27-10-18(19,20)21/h2-5,8-9H,6-7,10H2,1H3,(H,22,25) | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceutical Company Ltd.
Curated by ChEMBL
| Assay Description Binding affinity to D5D in Sprague-Dawley rat liver microsomes after 150 mins by liquid scintillation counting |
ACS Med Chem Lett 7: 868-72 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00241 BindingDB Entry DOI: 10.7270/Q2FN19QQ |
More data for this Ligand-Target Pair | |