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)) | BDBM50169700 (CHEMBL3806115) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.13E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cambridge Curated by ChEMBL | Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate by LC-MS/MS analysis | J Med Chem 59: 3272-302 (2016) Article DOI: 10.1021/acs.jmedchem.6b00007 BindingDB Entry DOI: 10.7270/Q2MS3VN4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C19 (Homo sapiens (Human)) | BDBM50250181 (CHEMBL2338421 | N''-(5-Benzofuroxanylmethylidene)I...) | 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 | 1.53E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
São Paulo State University (UNESP) , Institute of Chemistry, Araraquara 14800060, Brazil. Curated by ChEMBL | Assay Description Inhibition of CYP2C19 in human liver microsomes in presence of NADPH by LC-MS/MS analysis | J Med Chem 60: 8647-8660 (2017) Article DOI: 10.1021/acs.jmedchem.7b01332 BindingDB Entry DOI: 10.7270/Q20G3NK2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50250181 (CHEMBL2338421 | N''-(5-Benzofuroxanylmethylidene)I...) | 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 |
São Paulo State University (UNESP) , Institute of Chemistry, Araraquara 14800060, Brazil. Curated by ChEMBL | Assay Description Inhibition of CYP3A4 in human liver microsomes in presence of NADPH by LC-MS/MS analysis | J Med Chem 60: 8647-8660 (2017) Article DOI: 10.1021/acs.jmedchem.7b01332 BindingDB Entry DOI: 10.7270/Q20G3NK2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C8 (Homo sapiens (Human)) | BDBM50250181 (CHEMBL2338421 | N''-(5-Benzofuroxanylmethylidene)I...) | PDB 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 |
São Paulo State University (UNESP) , Institute of Chemistry, Araraquara 14800060, Brazil. Curated by ChEMBL | Assay Description Inhibition of CYP2C8 in human liver microsomes in presence of NADPH by LC-MS/MS analysis | J Med Chem 60: 8647-8660 (2017) Article DOI: 10.1021/acs.jmedchem.7b01332 BindingDB Entry DOI: 10.7270/Q20G3NK2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2B6 (Homo sapiens (Human)) | BDBM50250181 (CHEMBL2338421 | N''-(5-Benzofuroxanylmethylidene)I...) | PDB 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 |
São Paulo State University (UNESP) , Institute of Chemistry, Araraquara 14800060, Brazil. Curated by ChEMBL | Assay Description Inhibition of CYP2B6 in human liver microsomes in presence of NADPH by LC-MS/MS analysis | J Med Chem 60: 8647-8660 (2017) Article DOI: 10.1021/acs.jmedchem.7b01332 BindingDB Entry DOI: 10.7270/Q20G3NK2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50169698 (CHEMBL3806191) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cambridge Curated by ChEMBL | Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate by LC-MS/MS analysis | J Med Chem 59: 3272-302 (2016) Article DOI: 10.1021/acs.jmedchem.6b00007 BindingDB Entry DOI: 10.7270/Q2MS3VN4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50169700 (CHEMBL3806115) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cambridge Curated by ChEMBL | Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate by LC-MS/MS analysis | J Med Chem 59: 3272-302 (2016) Article DOI: 10.1021/acs.jmedchem.6b00007 BindingDB Entry DOI: 10.7270/Q2MS3VN4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50169702 (CHEMBL3805279) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cambridge Curated by ChEMBL | Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate by LC-MS/MS analysis | J Med Chem 59: 3272-302 (2016) Article DOI: 10.1021/acs.jmedchem.6b00007 BindingDB Entry DOI: 10.7270/Q2MS3VN4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50169702 (CHEMBL3805279) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cambridge Curated by ChEMBL | Assay Description Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate by LC-MS/MS analysis | J Med Chem 59: 3272-302 (2016) Article DOI: 10.1021/acs.jmedchem.6b00007 BindingDB Entry DOI: 10.7270/Q2MS3VN4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50169698 (CHEMBL3806191) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cambridge Curated by ChEMBL | Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate by LC-MS/MS analysis | J Med Chem 59: 3272-302 (2016) Article DOI: 10.1021/acs.jmedchem.6b00007 BindingDB Entry DOI: 10.7270/Q2MS3VN4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C19 (Homo sapiens (Human)) | BDBM50169702 (CHEMBL3805279) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cambridge Curated by ChEMBL | Assay Description Inhibition of CYP2C19 in human liver microsomes using mephenytoin as substrate by LC-MS/MS analysis | J Med Chem 59: 3272-302 (2016) Article DOI: 10.1021/acs.jmedchem.6b00007 BindingDB Entry DOI: 10.7270/Q2MS3VN4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C19 (Homo sapiens (Human)) | BDBM50169700 (CHEMBL3806115) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cambridge Curated by ChEMBL | Assay Description Inhibition of CYP2C19 in human liver microsomes using mephenytoin as substrate by LC-MS/MS analysis | J Med Chem 59: 3272-302 (2016) Article DOI: 10.1021/acs.jmedchem.6b00007 BindingDB Entry DOI: 10.7270/Q2MS3VN4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C19 (Homo sapiens (Human)) | BDBM50169698 (CHEMBL3806191) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cambridge Curated by ChEMBL | Assay Description Inhibition of CYP2C19 in human liver microsomes using mephenytoin as substrate by LC-MS/MS analysis | J Med Chem 59: 3272-302 (2016) Article DOI: 10.1021/acs.jmedchem.6b00007 BindingDB Entry DOI: 10.7270/Q2MS3VN4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50169702 (CHEMBL3805279) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cambridge Curated by ChEMBL | Assay Description Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate by LC-MS/MS analysis | J Med Chem 59: 3272-302 (2016) Article DOI: 10.1021/acs.jmedchem.6b00007 BindingDB Entry DOI: 10.7270/Q2MS3VN4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50169698 (CHEMBL3806191) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cambridge Curated by ChEMBL | Assay Description Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate by LC-MS/MS analysis | J Med Chem 59: 3272-302 (2016) Article DOI: 10.1021/acs.jmedchem.6b00007 BindingDB Entry DOI: 10.7270/Q2MS3VN4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50169700 (CHEMBL3806115) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cambridge Curated by ChEMBL | Assay Description Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate by LC-MS/MS analysis | J Med Chem 59: 3272-302 (2016) Article DOI: 10.1021/acs.jmedchem.6b00007 BindingDB Entry DOI: 10.7270/Q2MS3VN4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mycocyclosin synthase (Mycobacterium tuberculosis) | BDBM31773 (ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a |
University of Cambridge Curated by ChEMBL | Assay Description Binding affinity to Mycobacterium tuberculosis H37Rv wild type CYP121 by titration assay | J Med Chem 59: 3272-302 (2016) Article DOI: 10.1021/acs.jmedchem.6b00007 BindingDB Entry DOI: 10.7270/Q2MS3VN4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mycocyclosin synthase (Mycobacterium tuberculosis) | BDBM31774 (CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a |
University of Cambridge Curated by ChEMBL | Assay Description Binding affinity to Mycobacterium tuberculosis H37Rv wild type CYP121 by titration assay | J Med Chem 59: 3272-302 (2016) Article DOI: 10.1021/acs.jmedchem.6b00007 BindingDB Entry DOI: 10.7270/Q2MS3VN4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mycocyclosin synthase (Mycobacterium tuberculosis) | BDBM31772 (1-[2-(2,4-dichlorobenzyl)oxy-2-(2,4-dichlorophenyl...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a |
University of Cambridge Curated by ChEMBL | Assay Description Binding affinity to Mycobacterium tuberculosis H37Rv wild type CYP121 by titration assay | J Med Chem 59: 3272-302 (2016) Article DOI: 10.1021/acs.jmedchem.6b00007 BindingDB Entry DOI: 10.7270/Q2MS3VN4 | |||||||||||
More data for this Ligand-Target Pair |