BDBM50183064 (2S,4S)-2-[2-(4-chlorophenyl)ethyl]-2-[(1H-imidazol-1-yl)methyl]-4-methyl-1,3-dioxolane hydrochloride::1-(((2S,4S)-2-(4-chlorophenethyl)-4-methyl-1,3-dioxolan-2-yl)methyl)-1H-imidazole hydrochloride::CHEMBL535614

SMILES: C[C@H]1CO[C@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1

InChI Key: InChIKey=PUVVRSXPYYFNAP-BBRMVZONSA-N

Data: 6 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 6 hits for monomerid = 50183064   

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))	BDBM50183064 ((2S,4S)-2-[2-(4-chlorophenyl)ethyl]-2-[(1H-imidazo...) Show SMILES C[C@H]1CO[C@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1 Show InChI InChI=1S/C16H19ClN2O2/c1-13-10-20-16(21-13,11-19-9-8-18-12-19)7-6-14-2-4-15(17)5-3-14/h2-5,8-9,12-13H,6-7,10-11H2,1H3/t13-,16-/m0/s1	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	1.20E+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 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))	BDBM50183064 ((2S,4S)-2-[2-(4-chlorophenyl)ethyl]-2-[(1H-imidazo...) Show SMILES C[C@H]1CO[C@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1 Show InChI InChI=1S/C16H19ClN2O2/c1-13-10-20-16(21-13,11-19-9-8-18-12-19)7-6-14-2-4-15(17)5-3-14/h2-5,8-9,12-13H,6-7,10-11H2,1H3/t13-,16-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL 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
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))	BDBM50183064 ((2S,4S)-2-[2-(4-chlorophenyl)ethyl]-2-[(1H-imidazo...) Show SMILES C[C@H]1CO[C@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1 Show InChI InChI=1S/C16H19ClN2O2/c1-13-10-20-16(21-13,11-19-9-8-18-12-19)7-6-14-2-4-15(17)5-3-14/h2-5,8-9,12-13H,6-7,10-11H2,1H3/t13-,16-/m0/s1	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	270	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Inhibition of HO-1 in Sprague-Dawley albino rat spleen microsomes assessed as reduction in bilirubin formation using hemin as substrate after 60 mins...				Eur J Med Chem 148: 54-62 (2018) Article DOI: 10.1016/j.ejmech.2018.02.007 BindingDB Entry DOI: 10.7270/Q28P633V
					More data for this Ligand-Target Pair				3D Structure (docked)
Nitric-oxide synthase, brain (Rattus norvegicus (rat))	BDBM50183064 ((2S,4S)-2-[2-(4-chlorophenyl)ethyl]-2-[(1H-imidazo...) Show SMILES C[C@H]1CO[C@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1 Show InChI InChI=1S/C16H19ClN2O2/c1-13-10-20-16(21-13,11-19-9-8-18-12-19)7-6-14-2-4-15(17)5-3-14/h2-5,8-9,12-13H,6-7,10-11H2,1H3/t13-,16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+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
Heme Oxygenase 2 (HO-2) (Rattus norvegicus (rat))	BDBM50183064 ((2S,4S)-2-[2-(4-chlorophenyl)ethyl]-2-[(1H-imidazo...) Show SMILES C[C@H]1CO[C@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1 Show InChI InChI=1S/C16H19ClN2O2/c1-13-10-20-16(21-13,11-19-9-8-18-12-19)7-6-14-2-4-15(17)5-3-14/h2-5,8-9,12-13H,6-7,10-11H2,1H3/t13-,16-/m0/s1	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
University of Catania Curated by ChEMBL					Assay Description Inhibition of HO-2 in Sprague-Dawley albino rat brain microsomes assessed as reduction in bilirubin formation using hemin as substrate after 60 mins ...				Eur J Med Chem 148: 54-62 (2018) Article DOI: 10.1016/j.ejmech.2018.02.007 BindingDB Entry DOI: 10.7270/Q28P633V
					More data for this Ligand-Target Pair
Heme Oxygenase 2 (HO-2) (Rattus norvegicus (rat))	BDBM50183064 ((2S,4S)-2-[2-(4-chlorophenyl)ethyl]-2-[(1H-imidazo...) Show SMILES C[C@H]1CO[C@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1 Show InChI InChI=1S/C16H19ClN2O2/c1-13-10-20-16(21-13,11-19-9-8-18-12-19)7-6-14-2-4-15(17)5-3-14/h2-5,8-9,12-13H,6-7,10-11H2,1H3/t13-,16-/m0/s1	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