null
SMILES: CC(C)(C)OC(=O)NCCCOc1c2ccoc2cc2oc(=O)ccc12
InChI Key:
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
CYP1A (Homo sapiens (Human)) | BDBM562067 (US11396516, Example 2) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description The ability of the tested compounds to inhibit a panel of CYP enzymes in vitro was assessed using a series of human liver microsome assays. Half-maxi... | Citation and Details BindingDB Entry DOI: 10.7270/Q2FT8Q87 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2B6 (Homo sapiens (Human)) | BDBM562067 (US11396516, Example 2) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 8.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description The ability of the tested compounds to inhibit a panel of CYP enzymes in vitro was assessed using a series of human liver microsome assays. Half-maxi... | Citation and Details BindingDB Entry DOI: 10.7270/Q2FT8Q87 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A43 (Homo sapiens (Human)) | BDBM562067 (US11396516, Example 2) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 9.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description The ability of the tested compounds to inhibit a panel of CYP enzymes in vitro was assessed using a series of human liver microsome assays. Half-maxi... | Citation and Details BindingDB Entry DOI: 10.7270/Q2FT8Q87 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM562067 (US11396516, Example 2) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description The ability of the tested compounds to inhibit a panel of CYP enzymes in vitro was assessed using a series of human liver microsome assays. Half-maxi... | Citation and Details BindingDB Entry DOI: 10.7270/Q2FT8Q87 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C19 (Homo sapiens) | BDBM562067 (US11396516, Example 2) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | US Patent | n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description The ability of the tested compounds to inhibit a panel of CYP enzymes in vitro was assessed using a series of human liver microsome assays. Half-maxi... | Citation and Details BindingDB Entry DOI: 10.7270/Q2FT8Q87 | |||||||||||
More data for this Ligand-Target Pair |