BDBM31681 imidazole-dioxolane, 31

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

InChI Key: InChIKey=NFQLYCRAYNXTQV-DLBZAZTESA-N

Data: 3 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 3 hits for monomerid = 31681   

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))	BDBM31681 (imidazole-dioxolane, 31) Show SMILES CSC[C@@H]1CO[C@@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1 |r| Show InChI InChI=1S/C17H21ClN2O2S/c1-23-11-16-10-21-17(22-16,12-20-9-8-19-13-20)7-6-14-2-4-15(18)5-3-14/h2-5,8-9,13,16H,6-7,10-12H2,1H3/t16-,17+/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	9.00E+3	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 3A1 (Rattus norvegicus (rat))	BDBM31681 (imidazole-dioxolane, 31) Show SMILES CSC[C@@H]1CO[C@@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1 |r| Show InChI InChI=1S/C17H21ClN2O2S/c1-23-11-16-10-21-17(22-16,12-20-9-8-19-13-20)7-6-14-2-4-15(18)5-3-14/h2-5,8-9,13,16H,6-7,10-12H2,1H3/t16-,17+/m0/s1	UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+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))	BDBM31681 (imidazole-dioxolane, 31) Show SMILES CSC[C@@H]1CO[C@@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1 |r| Show InChI InChI=1S/C17H21ClN2O2S/c1-23-11-16-10-21-17(22-16,12-20-9-8-19-13-20)7-6-14-2-4-15(18)5-3-14/h2-5,8-9,13,16H,6-7,10-12H2,1H3/t16-,17+/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	1.90E+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