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 1A1 (Homo sapiens (Human)) | BDBM50239593 (CHEMBL4096550) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H�pital Saint-Fran�ois d'Assise Curated by ChEMBL | Assay Description Inhibition of human supersomes CYP1A1-mediated 7-ethoxyresorufin conversion to fluorescent resorufin preincubated with 7-ethoxyresorufin for 5 mins f... | J Med Chem 60: 4963-4982 (2017) Article DOI: 10.1021/acs.jmedchem.7b00343 BindingDB Entry DOI: 10.7270/Q2JM2CSD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A1 (Homo sapiens (Human)) | BDBM50585332 (CHEMBL5077719) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Binding affinity to recombinant CYP1A1 in human liver microsomes assessed as inhibition constant measured for 15 mins in the presence of NADPH regene... | Citation and Details Article DOI: 10.1016/j.ejmech.2021.114003 BindingDB Entry DOI: 10.7270/Q2BK1H8R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A1 (Homo sapiens (Human)) | BDBM50239591 (CHEMBL4104764) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H�pital Saint-Fran�ois d'Assise Curated by ChEMBL | Assay Description Inhibition of human supersomes CYP1A1-mediated 7-ethoxyresorufin conversion to fluorescent resorufin preincubated with 7-ethoxyresorufin for 5 mins f... | J Med Chem 60: 4963-4982 (2017) Article DOI: 10.1021/acs.jmedchem.7b00343 BindingDB Entry DOI: 10.7270/Q2JM2CSD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A1 (Homo sapiens (Human)) | BDBM50585331 (CHEMBL5073496) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Binding affinity to recombinant CYP1A1 in human liver microsomes assessed as inhibition constant measured for 15 mins in the presence of NADPH regene... | Citation and Details Article DOI: 10.1016/j.ejmech.2021.114003 BindingDB Entry DOI: 10.7270/Q2BK1H8R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A1 (Homo sapiens (Human)) | BDBM50239592 (CHEMBL4078072) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
H�pital Saint-Fran�ois d'Assise Curated by ChEMBL | Assay Description Inhibition of human supersomes CYP1A1-mediated 7-ethoxyresorufin conversion to fluorescent resorufin preincubated with 7-ethoxyresorufin for 5 mins f... | J Med Chem 60: 4963-4982 (2017) Article DOI: 10.1021/acs.jmedchem.7b00343 BindingDB Entry DOI: 10.7270/Q2JM2CSD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A1 (Homo sapiens (Human)) | BDBM50585333 (CHEMBL5084275) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Binding affinity to recombinant CYP1A1 in human liver microsomes assessed as inhibition constant measured for 15 mins in the presence of NADPH regene... | Citation and Details Article DOI: 10.1016/j.ejmech.2021.114003 BindingDB Entry DOI: 10.7270/Q2BK1H8R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human)) | BDBM15339 (6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methyl-qui...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of recombinant N-terminal His-tagged human DHODH (31 to 395 residues) expressed in Escherichia coli using L-DHO as substrate measured ever... | Citation and Details Article DOI: 10.1016/j.bmc.2020.115739 BindingDB Entry DOI: 10.7270/Q29K4FX8 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human)) | BDBM50559136 (CHEMBL2165736) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of recombinant N-terminal His-tagged human DHODH (31 to 395 residues) expressed in Escherichia coli using L-DHO as substrate measured ever... | Citation and Details Article DOI: 10.1016/j.bmc.2020.115739 BindingDB Entry DOI: 10.7270/Q29K4FX8 | |||||||||||
More data for this Ligand-Target Pair |