Found 7 hits for monomerid = 50462060 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 |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50462060
(CHEMBL4229067)Show SMILES C[C@H](NC(C)=O)\C=C\c1ccc(Oc2ccc3nc(sc3c2F)C(C)C)nc1 |r| Show InChI InChI=1S/C21H22FN3O2S/c1-12(2)21-25-16-8-9-17(19(22)20(16)28-21)27-18-10-7-15(11-23-18)6-5-13(3)24-14(4)26/h5-13H,1-4H3,(H,24,26)/b6-5+/t13-/m0/s1 | PDB
UniProtKB/SwissProt UniProtKB/TrEMBL
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 (unknown origin) |
Bioorg Med Chem Lett 28: 2498-2503 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.055 BindingDB Entry DOI: 10.7270/Q20V8GFW |
More data for this Ligand-Target Pair | |
Acetyl-CoA carboxylase
(Homo sapiens (Human)) | BDBM50462060
(CHEMBL4229067)Show SMILES C[C@H](NC(C)=O)\C=C\c1ccc(Oc2ccc3nc(sc3c2F)C(C)C)nc1 |r| Show InChI InChI=1S/C21H22FN3O2S/c1-12(2)21-25-16-8-9-17(19(22)20(16)28-21)27-18-10-7-15(11-23-18)6-5-13(3)24-14(4)26/h5-13H,1-4H3,(H,24,26)/b6-5+/t13-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| 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 |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of recombinant human ACC2 assessed as reduction in conversion of acetyl-CoA to malonyl-CoA incubated for 1 to 3 hrs with substrate by MALD... |
Bioorg Med Chem Lett 28: 2498-2503 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.055 BindingDB Entry DOI: 10.7270/Q20V8GFW |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A
(Homo sapiens (Human)) | BDBM50462060
(CHEMBL4229067)Show SMILES C[C@H](NC(C)=O)\C=C\c1ccc(Oc2ccc3nc(sc3c2F)C(C)C)nc1 |r| Show InChI InChI=1S/C21H22FN3O2S/c1-12(2)21-25-16-8-9-17(19(22)20(16)28-21)27-18-10-7-15(11-23-18)6-5-13(3)24-14(4)26/h5-13H,1-4H3,(H,24,26)/b6-5+/t13-/m0/s1 | PDB MMDB
Reactome pathway KEGG
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 (unknown origin) |
Bioorg Med Chem Lett 28: 2498-2503 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.055 BindingDB Entry DOI: 10.7270/Q20V8GFW |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50462060
(CHEMBL4229067)Show SMILES C[C@H](NC(C)=O)\C=C\c1ccc(Oc2ccc3nc(sc3c2F)C(C)C)nc1 |r| Show InChI InChI=1S/C21H22FN3O2S/c1-12(2)21-25-16-8-9-17(19(22)20(16)28-21)27-18-10-7-15(11-23-18)6-5-13(3)24-14(4)26/h5-13H,1-4H3,(H,24,26)/b6-5+/t13-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 (unknown origin) |
Bioorg Med Chem Lett 28: 2498-2503 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.055 BindingDB Entry DOI: 10.7270/Q20V8GFW |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50462060
(CHEMBL4229067)Show SMILES C[C@H](NC(C)=O)\C=C\c1ccc(Oc2ccc3nc(sc3c2F)C(C)C)nc1 |r| Show InChI InChI=1S/C21H22FN3O2S/c1-12(2)21-25-16-8-9-17(19(22)20(16)28-21)27-18-10-7-15(11-23-18)6-5-13(3)24-14(4)26/h5-13H,1-4H3,(H,24,26)/b6-5+/t13-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) |
Bioorg Med Chem Lett 28: 2498-2503 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.055 BindingDB Entry DOI: 10.7270/Q20V8GFW |
More data for this Ligand-Target Pair | |
Acetyl-CoA carboxylase 1 (ACC1)
(Homo sapiens (Human)) | BDBM50462060
(CHEMBL4229067)Show SMILES C[C@H](NC(C)=O)\C=C\c1ccc(Oc2ccc3nc(sc3c2F)C(C)C)nc1 |r| Show InChI InChI=1S/C21H22FN3O2S/c1-12(2)21-25-16-8-9-17(19(22)20(16)28-21)27-18-10-7-15(11-23-18)6-5-13(3)24-14(4)26/h5-13H,1-4H3,(H,24,26)/b6-5+/t13-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of recombinant human ACC1 assessed as reduction in conversion of acetyl-CoA to malonyl-CoA incubated for 1 to 3 hrs with substrate by MALD... |
Bioorg Med Chem Lett 28: 2498-2503 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.055 BindingDB Entry DOI: 10.7270/Q20V8GFW |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50462060
(CHEMBL4229067)Show SMILES C[C@H](NC(C)=O)\C=C\c1ccc(Oc2ccc3nc(sc3c2F)C(C)C)nc1 |r| Show InChI InChI=1S/C21H22FN3O2S/c1-12(2)21-25-16-8-9-17(19(22)20(16)28-21)27-18-10-7-15(11-23-18)6-5-13(3)24-14(4)26/h5-13H,1-4H3,(H,24,26)/b6-5+/t13-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Shionogi & Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 (unknown origin) |
Bioorg Med Chem Lett 28: 2498-2503 (2018)
Article DOI: 10.1016/j.bmcl.2018.05.055 BindingDB Entry DOI: 10.7270/Q20V8GFW |
More data for this Ligand-Target Pair | |