BDBM31653 CHEMBL421109::imidazole-dioxolane, 5

SMILES: Nc1ccc(SC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1

InChI Key: InChIKey=VYNIUBZKEWJOJP-RBBKRZOGSA-N

Data: 1 KI  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 7 hits for monomerid = 31653   

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 51 (Rattus norvegicus)	BDBM31653 (CHEMBL421109 | imidazole-dioxolane, 5) Show SMILES Nc1ccc(SC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 |r| Show InChI InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	117	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Discovery Research Curated by ChEMBL					Assay Description Apparent Ki for rat Lanosterol 14-alpha demethylase				J Med Chem 36: 2235-7 (1993) BindingDB Entry DOI: 10.7270/Q2ZW1K0P
					More data for this Ligand-Target Pair
Heme Oxygenase 2 (HO-2) (Rattus norvegicus (rat))	BDBM31653 (CHEMBL421109 | imidazole-dioxolane, 5) Show SMILES Nc1ccc(SC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 |r| Show InChI InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.00E+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
Heme Oxygenase 2 (HO-2) (Rattus norvegicus (rat))	BDBM31653 (CHEMBL421109 | imidazole-dioxolane, 5) Show SMILES Nc1ccc(SC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 |r| Show InChI InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Curated by ChEMBL					Assay Description In vitro inhibitory concentration against heme oxygenase 2 from rat brain				Bioorg Med Chem Lett 15: 1457-61 (2005) Article DOI: 10.1016/j.bmcl.2004.12.075 BindingDB Entry DOI: 10.7270/Q29886HD
					More data for this Ligand-Target Pair
Heme oxygenase 2 (Rattus norvegicus (rat))	BDBM31653 (CHEMBL421109 | imidazole-dioxolane, 5) Show SMILES Nc1ccc(SC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 |r| Show InChI InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat brain microsome HO-2 preincubated for 10 mins followed by beta-NADPH addition and measured after 15 mins by gas chro...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111703
					More data for this Ligand-Target Pair
Heme oxygenase 1 (Rattus norvegicus (rat))	BDBM31653 (CHEMBL421109 | imidazole-dioxolane, 5) Show SMILES Nc1ccc(SC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 |r| Show InChI InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat spleen microsome HO-1 preincubated for 10 mins followed by beta-NADPH addition and measured after 15 mins by gas chr...				Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111703
					More data for this Ligand-Target Pair
Heme Oxygenase 1 (HO-1) (Rattus norvegicus (rat))	BDBM31653 (CHEMBL421109 | imidazole-dioxolane, 5) Show SMILES Nc1ccc(SC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 |r| Show InChI InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	330	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
Heme Oxygenase 1 (HO-1) (Rattus norvegicus (rat))	BDBM31653 (CHEMBL421109 | imidazole-dioxolane, 5) Show SMILES Nc1ccc(SC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 |r| Show InChI InChI=1S/C22H24ClN3O2S/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)27-13-20(28-22)14-29-21-7-5-19(24)6-8-21/h1-8,11-12,16,20H,9-10,13-15,24H2/t20-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Curated by ChEMBL					Assay Description In vitro inhibitory concentration against heme oxygenase 1 from rat spleen				Bioorg Med Chem Lett 15: 1457-61 (2005) Article DOI: 10.1016/j.bmcl.2004.12.075 BindingDB Entry DOI: 10.7270/Q29886HD
					More data for this Ligand-Target Pair