BDBM31656 imidazole-dioxolane, 8

SMILES: Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](CSc3ccncc3)O2)cc1

InChI Key: InChIKey=LGWLOZYJBIRIKR-PZJWPPBQSA-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 = 31656   

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))	BDBM31656 (imidazole-dioxolane, 8) Show SMILES Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](CSc3ccncc3)O2)cc1 |r| Show InChI InChI=1S/C21H22ClN3O2S/c22-18-3-1-17(2-4-18)5-8-21(15-25-12-11-24-16-25)26-13-19(27-21)14-28-20-6-9-23-10-7-20/h1-4,6-7,9-12,16,19H,5,8,13-15H2/t19-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	7.4	37
Queen's University					Assay Description HO activity in rat spleen (HO-1) and brain (HO-2) microsomal fractions was determined by the quantitation of CO formed from the degradation of methem...				Bioorg Med Chem 17: 2461-75 (2009) Article DOI: 10.1016/j.bmc.2009.01.078 BindingDB Entry DOI: 10.7270/Q2WQ0250
					More data for this Ligand-Target Pair
Cytochrome P450 3A1 (Rattus norvegicus (rat))	BDBM31656 (imidazole-dioxolane, 8) Show SMILES Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](CSc3ccncc3)O2)cc1 |r| Show InChI InChI=1S/C21H22ClN3O2S/c22-18-3-1-17(2-4-18)5-8-21(15-25-12-11-24-16-25)26-13-19(27-21)14-28-20-6-9-23-10-7-20/h1-4,6-7,9-12,16,19H,5,8,13-15H2/t19-,21+/m0/s1	UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University					Assay Description CYP3A1/3A2-catalyzed erythromycin N-demethylase activity was determined by the spectrophotometric measurement of formaldehyde. Briefly, reaction mixt...				Bioorg Med Chem 17: 2461-75 (2009) Article DOI: 10.1016/j.bmc.2009.01.078 BindingDB Entry DOI: 10.7270/Q2WQ0250
					More data for this Ligand-Target Pair
Heme Oxygenase 2 (HO-2) (Rattus norvegicus (rat))	BDBM31656 (imidazole-dioxolane, 8) Show SMILES Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](CSc3ccncc3)O2)cc1 |r| Show InChI InChI=1S/C21H22ClN3O2S/c22-18-3-1-17(2-4-18)5-8-21(15-25-12-11-24-16-25)26-13-19(27-21)14-28-20-6-9-23-10-7-20/h1-4,6-7,9-12,16,19H,5,8,13-15H2/t19-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90E+4	n/a	n/a	n/a	n/a	7.4	n/a
Queen's University					Assay Description HO activity in rat spleen (HO-1) and brain (HO-2) microsomal fractions was determined by the quantitation of CO formed from the degradation of methem...				Bioorg Med Chem 17: 2461-75 (2009) Article DOI: 10.1016/j.bmc.2009.01.078 BindingDB Entry DOI: 10.7270/Q2WQ0250
					More data for this Ligand-Target Pair
Cytochrome P450 2E1 (Rattus norvegicus (rat))	BDBM31656 (imidazole-dioxolane, 8) Show SMILES Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](CSc3ccncc3)O2)cc1 |r| Show InChI InChI=1S/C21H22ClN3O2S/c22-18-3-1-17(2-4-18)5-8-21(15-25-12-11-24-16-25)26-13-19(27-21)14-28-20-6-9-23-10-7-20/h1-4,6-7,9-12,16,19H,5,8,13-15H2/t19-,21+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.4	37
Queen's University					Assay Description CYP2E1 hydroxylation of p-nitrophenol was determined by the spectrophotometric measurement of 4-nitrocatechol. Briefly, reaction mixture consisting o...				Bioorg Med Chem 17: 2461-75 (2009) Article DOI: 10.1016/j.bmc.2009.01.078 BindingDB Entry DOI: 10.7270/Q2WQ0250
					More data for this Ligand-Target Pair