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

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50183068   

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...) Show SMILES Clc1ccc(CCC2(Cn3ccnc3)SCCS2)cc1 Show InChI InChI=1S/C15H17ClN2S2/c16-14-3-1-13(2-4-14)5-6-15(19-9-10-20-15)11-18-8-7-17-12-18/h1-4,7-8,12H,5-6,9-11H2	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...) Show SMILES Clc1ccc(CCC2(Cn3ccnc3)SCCS2)cc1 Show InChI InChI=1S/C15H17ClN2S2/c16-14-3-1-13(2-4-14)5-6-15(19-9-10-20-15)11-18-8-7-17-12-18/h1-4,7-8,12H,5-6,9-11H2	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...) Show SMILES Clc1ccc(CCC2(Cn3ccnc3)SCCS2)cc1 Show InChI InChI=1S/C15H17ClN2S2/c16-14-3-1-13(2-4-14)5-6-15(19-9-10-20-15)11-18-8-7-17-12-18/h1-4,7-8,12H,5-6,9-11H2	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...) Show SMILES Clc1ccc(CCC2(Cn3ccnc3)SCCS2)cc1 Show InChI InChI=1S/C15H17ClN2S2/c16-14-3-1-13(2-4-14)5-6-15(19-9-10-20-15)11-18-8-7-17-12-18/h1-4,7-8,12H,5-6,9-11H2	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