BDBM50183058 (2R,4S)-2-[2-(4-chlorophenyl)ethyl]-2-[(1H-imidazol-1-yl)-methyl]-4-methyl-1,3-dioxolane hydrochloride::1-(((2R,4S)-2-(4-chlorophenethyl)-4-methyl-1,3-dioxolan-2-yl)methyl)-1H-imidazole hydrochloride::CHEMBL535613
SMILES: C[C@H]1CO[C@@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1
InChI Key: InChIKey=PUVVRSXPYYFNAP-XJKSGUPXSA-N
Data: 4 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Heme Oxygenase 1 (HO-1) (Rattus norvegicus (rat)) | BDBM50183058 ((2R,4S)-2-[2-(4-chlorophenyl)ethyl]-2-[(1H-imidazo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Queen's University Curated by ChEMBL | Assay Description Inhibition of Sprague-Dawley rat spleen HO1 | J Med Chem 49: 4437-41 (2006) Article DOI: 10.1021/jm0511435 BindingDB Entry DOI: 10.7270/Q2GH9JR1 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Cytochrome P450 2E1 (Rattus norvegicus (rat)) | BDBM50183058 ((2R,4S)-2-[2-(4-chlorophenyl)ethyl]-2-[(1H-imidazo...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Queen's University Curated by ChEMBL | Assay Description Inhibition of rat liver CYP2E1 | J Med Chem 49: 4437-41 (2006) Article DOI: 10.1021/jm0511435 BindingDB Entry DOI: 10.7270/Q2GH9JR1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Heme Oxygenase 2 (HO-2) (Rattus norvegicus (rat)) | BDBM50183058 ((2R,4S)-2-[2-(4-chlorophenyl)ethyl]-2-[(1H-imidazo...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Queen's University Curated by ChEMBL | Assay Description Inhibition of Sprague-Dawley rat brain HO2 | J Med Chem 49: 4437-41 (2006) Article DOI: 10.1021/jm0511435 BindingDB Entry DOI: 10.7270/Q2GH9JR1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Nitric-oxide synthase, brain (Rattus norvegicus (rat)) | BDBM50183058 ((2R,4S)-2-[2-(4-chlorophenyl)ethyl]-2-[(1H-imidazo...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 7.73E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Queen's University Curated by ChEMBL | Assay Description Inhibition of rat brain nNOS | J Med Chem 49: 4437-41 (2006) Article DOI: 10.1021/jm0511435 BindingDB Entry DOI: 10.7270/Q2GH9JR1 | |||||||||||
More data for this Ligand-Target Pair |