null
SMILES: CN1CC(Cl)=C(C1)c1cn(c2ccccc12)S(=O)(=O)c1ccccc1
InChI Key: InChIKey=PQQHOBXFKJXQAU-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50349118 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 3A4
(Homo sapiens (Human)) | BDBM50349118
(CHEMBL1808424)Show SMILES CN1CC(Cl)=C(C1)c1cn(c2ccccc12)S(=O)(=O)c1ccccc1 |c:4| Show InChI InChI=1S/C19H17ClN2O2S/c1-21-11-17(18(20)13-21)16-12-22(19-10-6-5-9-15(16)19)25(23,24)14-7-3-2-4-8-14/h2-10,12H,11,13H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.47E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 |
Bioorg Med Chem Lett 21: 4577-80 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.106 BindingDB Entry DOI: 10.7270/Q2GH9JBN |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50349118
(CHEMBL1808424)Show SMILES CN1CC(Cl)=C(C1)c1cn(c2ccccc12)S(=O)(=O)c1ccccc1 |c:4| Show InChI InChI=1S/C19H17ClN2O2S/c1-21-11-17(18(20)13-21)16-12-22(19-10-6-5-9-15(16)19)25(23,24)14-7-3-2-4-8-14/h2-10,12H,11,13H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.11E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Suven Life Sciences Ltd.
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 |
Bioorg Med Chem Lett 21: 4577-80 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.106 BindingDB Entry DOI: 10.7270/Q2GH9JBN |
More data for this Ligand-Target Pair | |