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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM151585 (US11739089, Compound Ketoconazole | US8987315, Ket...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid PDB UniChem Similars | DrugBank PDB Article PubMed | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Liverpool Curated by ChEMBL | Assay Description Inhibition of CYP3A4 in human liver microsomes assessed as testosterone 6beta-hydroxylation after 4 to 40 mins in presence of NADPH by LCMS analysis | Bioorg Med Chem 26: 2996-3005 (2018) Article DOI: 10.1016/j.bmc.2018.05.006 BindingDB Entry DOI: 10.7270/Q2K076SB | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM151585 (US11739089, Compound Ketoconazole | US8987315, Ket...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank PC cid PC sid PDB UniChem Similars | DrugBank PDB Article PubMed | n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Liverpool Curated by ChEMBL | Assay Description Inhibition of CYP3A4 in human liver microsomes assessed as midazolam 1'-hydroxylation after 4 to 40 mins in presence of NADPH by LCMS analysis | Bioorg Med Chem 26: 2996-3005 (2018) Article DOI: 10.1016/j.bmc.2018.05.006 BindingDB Entry DOI: 10.7270/Q2K076SB | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50121975 ((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Liverpool Curated by ChEMBL | Assay Description Inhibition of CYP2D6 in human liver microsomes assessed as dextromethorphan O-demethylation after 4 to 40 mins in presence of NADPH by LCMS analysis | Bioorg Med Chem 26: 2996-3005 (2018) Article DOI: 10.1016/j.bmc.2018.05.006 BindingDB Entry DOI: 10.7270/Q2K076SB | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Cytochrome P450 2C19 (Homo sapiens (Human)) | BDBM50273689 (CHEMBL4128999) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 480 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Liverpool Curated by ChEMBL | Assay Description Inhibition of CYP2C19 in human liver microsomes assessed as (S)-mephenytoin 4'-hydroxylation after 4 to 40 mins in presence of NADPH by LCMS analysis | Bioorg Med Chem 26: 2996-3005 (2018) Article DOI: 10.1016/j.bmc.2018.05.006 BindingDB Entry DOI: 10.7270/Q2K076SB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50090677 (4-Amino-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfon...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars | DrugBank Article PubMed | n/a | n/a | 720 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Liverpool Curated by ChEMBL | Assay Description Inhibition of CYP2C9 in human liver microsomes assessed as tolbutamide methylhydroxylation after 4 to 40 mins in presence of NADPH by LCMS analysis | Bioorg Med Chem 26: 2996-3005 (2018) Article DOI: 10.1016/j.bmc.2018.05.006 BindingDB Entry DOI: 10.7270/Q2K076SB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A2 (Homo sapiens (Human)) | BDBM50236897 (3-(furan-2-ylmethyl)-1,8-dimethyl-1H-purine-2,6(3H...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Liverpool Curated by ChEMBL | Assay Description Inhibition of CYP1A2 in human liver microsomes assessed as phenacetin O-deethylation after 4 to 40 mins in presence of NADPH by LCMS analysis | Bioorg Med Chem 26: 2996-3005 (2018) Article DOI: 10.1016/j.bmc.2018.05.006 BindingDB Entry DOI: 10.7270/Q2K076SB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50273688 (CHEMBL4127539) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Liverpool Curated by ChEMBL | Assay Description Inhibition of CYP3A4 in human liver microsomes assessed as midazolam 1'-hydroxylation after 4 to 40 mins in presence of NADPH by LCMS analysis | Bioorg Med Chem 26: 2996-3005 (2018) Article DOI: 10.1016/j.bmc.2018.05.006 BindingDB Entry DOI: 10.7270/Q2K076SB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50273688 (CHEMBL4127539) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Liverpool Curated by ChEMBL | Assay Description Inhibition of CYP2D6 in human liver microsomes assessed as dextromethorphan O-demethylation after 4 to 40 mins in presence of NADPH by LCMS analysis | Bioorg Med Chem 26: 2996-3005 (2018) Article DOI: 10.1016/j.bmc.2018.05.006 BindingDB Entry DOI: 10.7270/Q2K076SB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50273688 (CHEMBL4127539) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Liverpool Curated by ChEMBL | Assay Description Inhibition of CYP3A4 in human liver microsomes assessed as testosterone 6beta-hydroxylation after 4 to 40 mins in presence of NADPH by LCMS analysis | Bioorg Med Chem 26: 2996-3005 (2018) Article DOI: 10.1016/j.bmc.2018.05.006 BindingDB Entry DOI: 10.7270/Q2K076SB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50273688 (CHEMBL4127539) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Liverpool Curated by ChEMBL | Assay Description Inhibition of CYP2C9 in human liver microsomes assessed as tolbutamide methylhydroxylation after 4 to 40 mins in presence of NADPH by LCMS analysis | Bioorg Med Chem 26: 2996-3005 (2018) Article DOI: 10.1016/j.bmc.2018.05.006 BindingDB Entry DOI: 10.7270/Q2K076SB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A2 (Homo sapiens (Human)) | BDBM50273688 (CHEMBL4127539) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Liverpool Curated by ChEMBL | Assay Description Inhibition of CYP1A2 in human liver microsomes assessed as phenacetin O-deethylation after 4 to 40 mins in presence of NADPH by LCMS analysis | Bioorg Med Chem 26: 2996-3005 (2018) Article DOI: 10.1016/j.bmc.2018.05.006 BindingDB Entry DOI: 10.7270/Q2K076SB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C19 (Homo sapiens (Human)) | BDBM50273688 (CHEMBL4127539) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Liverpool Curated by ChEMBL | Assay Description Inhibition of CYP2C19 in human liver microsomes assessed as (S)-mephenytoin 4'-hydroxylation after 4 to 40 mins in presence of NADPH by LCMS analysis | Bioorg Med Chem 26: 2996-3005 (2018) Article DOI: 10.1016/j.bmc.2018.05.006 BindingDB Entry DOI: 10.7270/Q2K076SB | |||||||||||
More data for this Ligand-Target Pair |