BDBM50183068 1-((2-(4-chlorophenethyl)-1,3-dithiolan-2-yl)methyl)-1H-imidazole hydrochloride::2-[2-(4-chlorophenyl)ethyl]-2-[(1H-imidazol-1-yl)methyl]-1,3-dithiolane hydrochloride::CHEMBL537200
SMILES: Clc1ccc(CCC2(Cn3ccnc3)SCCS2)cc1
InChI Key: InChIKey=CGLDWIMEJUDTQK-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cytochrome P450 2E1 (Rattus norvegicus (rat)) | BDBM50183068 (1-((2-(4-chlorophenethyl)-1,3-dithiolan-2-yl)methy...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.40E+4 | 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 1 (HO-1) (Rattus norvegicus (rat)) | BDBM50183068 (1-((2-(4-chlorophenethyl)-1,3-dithiolan-2-yl)methy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 4.70E+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 | |||||||||||||
Heme Oxygenase 2 (HO-2) (Rattus norvegicus (rat)) | BDBM50183068 (1-((2-(4-chlorophenethyl)-1,3-dithiolan-2-yl)methy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 1.60E+4 | 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)) | BDBM50183068 (1-((2-(4-chlorophenethyl)-1,3-dithiolan-2-yl)methy...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 3.40E+4 | 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 |