Found 9 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) | BDBM50467582
(CHEMBL4276719)Show SMILES CCCCc1ccccc1NCc1ccc(s1)C(=O)Nc1nc(CC(O)=O)cs1 Show InChI InChI=1S/C21H23N3O3S2/c1-2-3-6-14-7-4-5-8-17(14)22-12-16-9-10-18(29-16)20(27)24-21-23-15(13-28-21)11-19(25)26/h4-5,7-10,13,22H,2-3,6,11-12H2,1H3,(H,25,26)(H,23,24,27) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Japan Tobacco Inc.
Curated by ChEMBL
| Assay Description Inhibition of mouse liver microsome SCD assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]CoA as substrate in presence of NADH incu... |
Eur J Med Chem 158: 832-852 (2018)
Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5 |
More data for this Ligand-Target Pair | |
Acyl-CoA desaturase 1
(Rattus norvegicus (Rat)) | BDBM50467582
(CHEMBL4276719)Show SMILES CCCCc1ccccc1NCc1ccc(s1)C(=O)Nc1nc(CC(O)=O)cs1 Show InChI InChI=1S/C21H23N3O3S2/c1-2-3-6-14-7-4-5-8-17(14)22-12-16-9-10-18(29-16)20(27)24-21-23-15(13-28-21)11-19(25)26/h4-5,7-10,13,22H,2-3,6,11-12H2,1H3,(H,25,26)(H,23,24,27) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Japan Tobacco Inc.
Curated by ChEMBL
| Assay Description Inhibition of rat liver microsome SCD assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]CoA as substrate in presence of NADH incuba... |
Eur J Med Chem 158: 832-852 (2018)
Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5 |
More data for this Ligand-Target Pair | |
Stearoyl-CoA desaturase
(Homo sapiens (Human)) | BDBM50467582
(CHEMBL4276719)Show SMILES CCCCc1ccccc1NCc1ccc(s1)C(=O)Nc1nc(CC(O)=O)cs1 Show InChI InChI=1S/C21H23N3O3S2/c1-2-3-6-14-7-4-5-8-17(14)22-12-16-9-10-18(29-16)20(27)24-21-23-15(13-28-21)11-19(25)26/h4-5,7-10,13,22H,2-3,6,11-12H2,1H3,(H,25,26)(H,23,24,27) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 8.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Japan Tobacco Inc.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C... |
Eur J Med Chem 158: 832-852 (2018)
Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5 |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50467582
(CHEMBL4276719)Show SMILES CCCCc1ccccc1NCc1ccc(s1)C(=O)Nc1nc(CC(O)=O)cs1 Show InChI InChI=1S/C21H23N3O3S2/c1-2-3-6-14-7-4-5-8-17(14)22-12-16-9-10-18(29-16)20(27)24-21-23-15(13-28-21)11-19(25)26/h4-5,7-10,13,22H,2-3,6,11-12H2,1H3,(H,25,26)(H,23,24,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Japan Tobacco Inc.
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 (unknown origin) |
Eur J Med Chem 158: 832-852 (2018)
Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50467582
(CHEMBL4276719)Show SMILES CCCCc1ccccc1NCc1ccc(s1)C(=O)Nc1nc(CC(O)=O)cs1 Show InChI InChI=1S/C21H23N3O3S2/c1-2-3-6-14-7-4-5-8-17(14)22-12-16-9-10-18(29-16)20(27)24-21-23-15(13-28-21)11-19(25)26/h4-5,7-10,13,22H,2-3,6,11-12H2,1H3,(H,25,26)(H,23,24,27) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Japan Tobacco Inc.
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 (unknown origin) |
Eur J Med Chem 158: 832-852 (2018)
Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2A6
(Homo sapiens (Human)) | BDBM50467582
(CHEMBL4276719)Show SMILES CCCCc1ccccc1NCc1ccc(s1)C(=O)Nc1nc(CC(O)=O)cs1 Show InChI InChI=1S/C21H23N3O3S2/c1-2-3-6-14-7-4-5-8-17(14)22-12-16-9-10-18(29-16)20(27)24-21-23-15(13-28-21)11-19(25)26/h4-5,7-10,13,22H,2-3,6,11-12H2,1H3,(H,25,26)(H,23,24,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Japan Tobacco Inc.
Curated by ChEMBL
| Assay Description Inhibition of CYP2A6 (unknown origin) |
Eur J Med Chem 158: 832-852 (2018)
Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50467582
(CHEMBL4276719)Show SMILES CCCCc1ccccc1NCc1ccc(s1)C(=O)Nc1nc(CC(O)=O)cs1 Show InChI InChI=1S/C21H23N3O3S2/c1-2-3-6-14-7-4-5-8-17(14)22-12-16-9-10-18(29-16)20(27)24-21-23-15(13-28-21)11-19(25)26/h4-5,7-10,13,22H,2-3,6,11-12H2,1H3,(H,25,26)(H,23,24,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Japan Tobacco Inc.
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 (unknown origin) |
Eur J Med Chem 158: 832-852 (2018)
Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50467582
(CHEMBL4276719)Show SMILES CCCCc1ccccc1NCc1ccc(s1)C(=O)Nc1nc(CC(O)=O)cs1 Show InChI InChI=1S/C21H23N3O3S2/c1-2-3-6-14-7-4-5-8-17(14)22-12-16-9-10-18(29-16)20(27)24-21-23-15(13-28-21)11-19(25)26/h4-5,7-10,13,22H,2-3,6,11-12H2,1H3,(H,25,26)(H,23,24,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Japan Tobacco Inc.
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) |
Eur J Med Chem 158: 832-852 (2018)
Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50467582
(CHEMBL4276719)Show SMILES CCCCc1ccccc1NCc1ccc(s1)C(=O)Nc1nc(CC(O)=O)cs1 Show InChI InChI=1S/C21H23N3O3S2/c1-2-3-6-14-7-4-5-8-17(14)22-12-16-9-10-18(29-16)20(27)24-21-23-15(13-28-21)11-19(25)26/h4-5,7-10,13,22H,2-3,6,11-12H2,1H3,(H,25,26)(H,23,24,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Japan Tobacco Inc.
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 (unknown origin) |
Eur J Med Chem 158: 832-852 (2018)
Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5 |
More data for this Ligand-Target Pair | |