Compile Data Set for Download or QSAR

Found 209 hits with Last Name = 'rahman' and Initial = 'mn'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Heme oxygenase 1 (Rattus norvegicus (rat))	BDBM31673 (imidazole-dioxolane, 25) Show SMILES Fc1ccc(OC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 |r| Show InChI InChI=1S/C22H22ClFN2O3/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)28-14-21(29-22)13-27-20-7-5-19(24)6-8-20/h1-8,11-12,16,21H,9-10,13-15H2/t21-,22-/m1/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	280	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 (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 (Rattus norvegicus (rat))	BDBM50252802 (4-(4-Bromophenyl)-1-(1H-1,2,4-triazol-1-yl)-2-buta...) Show SMILES Brc1ccc(CCC(=O)Cn2cncn2)cc1 Show InChI InChI=1S/C12H12BrN3O/c13-11-4-1-10(2-5-11)3-6-12(17)7-16-9-14-8-15-16/h1-2,4-5,8-9H,3,6-7H2	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	390	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Curated by ChEMBL					Assay Description Inhibition of HO1 in rat spleen microsomal fraction assessed as carbon monoxide production				J Med Chem 51: 5943-52 (2008) Article DOI: 10.1021/jm800505m BindingDB Entry DOI: 10.7270/Q2RX9BWZ
					More data for this Ligand-Target Pair
Heme oxygenase 2 (Rattus norvegicus (rat))	BDBM31673 (imidazole-dioxolane, 25) Show SMILES Fc1ccc(OC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 |r| Show InChI InChI=1S/C22H22ClFN2O3/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)28-14-21(29-22)13-27-20-7-5-19(24)6-8-20/h1-8,11-12,16,21H,9-10,13-15H2/t21-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	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 1 (Rattus norvegicus (rat))	BDBM31671 (imidazole-dioxolane, 23) Show SMILES Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](COc3ccccc3)O2)cc1 |r| Show InChI InChI=1S/C22H23ClN2O3/c23-19-8-6-18(7-9-19)10-11-22(16-25-13-12-24-17-25)27-15-21(28-22)14-26-20-4-2-1-3-5-20/h1-9,12-13,17,21H,10-11,14-16H2/t21-,22-/m1/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	590	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 (Rattus norvegicus (rat))	BDBM31677 (imidazole-dioxolane, 29) Show SMILES Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](COc3ccc(cc3)C#N)O2)cc1 |r| Show InChI InChI=1S/C23H22ClN3O3/c24-20-5-1-18(2-6-20)9-10-23(16-27-12-11-26-17-27)29-15-22(30-23)14-28-21-7-3-19(13-25)4-8-21/h1-8,11-12,17,22H,9-10,14-16H2/t22-,23-/m1/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	670	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 (Rattus norvegicus (rat))	BDBM31659 (imidazole-dioxolane, 11) Show SMILES COc1ccc(SC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 |r| Show InChI InChI=1S/C23H25ClN2O3S/c1-27-20-6-8-22(9-7-20)30-15-21-14-28-23(29-21,16-26-13-12-25-17-26)11-10-18-2-4-19(24)5-3-18/h2-9,12-13,17,21H,10-11,14-16H2,1H3/t21-,23+/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	700	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 (Rattus norvegicus (rat))	BDBM84847 (1-azolyl-4-phenyl-2-butanone, 49a | CHEMBL558183) Show SMILES C(CC1(Cn2ccnc2)OCCO1)c1ccccc1 Show InChI InChI=1S/C15H18N2O2/c1-2-4-14(5-3-1)6-7-15(18-10-11-19-15)12-17-9-8-16-13-17/h1-5,8-9,13H,6-7,10-12H2	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	700	n/a	n/a	n/a	n/a	7.4	25
Queen's University					Assay Description Heme oxygenase activity in rat spleen and brain microsomal fractions was determined by the quantitation of CO formed from the degradation of methemal...				Chem Biol Drug Des 75: 68-90 (2010) Article DOI: 10.1111/j.1747-0285.2009.00909.x BindingDB Entry DOI: 10.7270/Q25B0101
					More data for this Ligand-Target Pair
Heme oxygenase 1 (Rattus norvegicus (rat))	BDBM31679 (imidazole-dioxolane, 2) Show SMILES C[C@@H]1CO[C@@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1 |r| 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-/m1/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	800	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				3D Structure (docked)
Heme oxygenase 1 (Rattus norvegicus (rat))	BDBM31665 (imidazole-dioxolane, 17) Show SMILES Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](CSc3ccc4ccccc4c3)O2)cc1 |r| Show InChI InChI=1S/C26H25ClN2O2S/c27-23-8-5-20(6-9-23)11-12-26(18-29-14-13-28-19-29)30-16-24(31-26)17-32-25-10-7-21-3-1-2-4-22(21)15-25/h1-10,13-15,19,24H,11-12,16-18H2/t24-,26+/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	900	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 (Rattus norvegicus (rat))	BDBM31664 (imidazole-dioxolane, 16) Show SMILES Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](CSC3CCCCC3)O2)cc1 |r| Show InChI InChI=1S/C22H29ClN2O2S/c23-19-8-6-18(7-9-19)10-11-22(16-25-13-12-24-17-25)26-14-20(27-22)15-28-21-4-2-1-3-5-21/h6-9,12-13,17,20-21H,1-5,10-11,14-16H2/t20-,22+/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	940	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 (Rattus norvegicus (rat))	BDBM31652 (imidazole-dioxolane, 3) Show SMILES Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](CSc3ccccc3)O2)cc1 |r| Show InChI InChI=1S/C22H23ClN2O2S/c23-19-8-6-18(7-9-19)10-11-22(16-25-13-12-24-17-25)26-14-20(27-22)15-28-21-4-2-1-3-5-21/h1-9,12-13,17,20H,10-11,14-16H2/t20-,22+/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	1.03E+3	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 (Rattus norvegicus (rat))	BDBM31682 (imidazole-dioxolane, 32) Show SMILES FC[C@@H]1CO[C@@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1 |r| Show InChI InChI=1S/C16H18ClFN2O2/c17-14-3-1-13(2-4-14)5-6-16(11-20-8-7-19-12-20)21-10-15(9-18)22-16/h1-4,7-8,12,15H,5-6,9-11H2/t15-,16-/m1/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	1.20E+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 1 (Rattus norvegicus (rat))	BDBM31675 (imidazole-dioxolane, 27) Show SMILES COc1ccc(OC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 |r| Show InChI InChI=1S/C23H25ClN2O4/c1-27-20-6-8-21(9-7-20)28-14-22-15-29-23(30-22,16-26-13-12-25-17-26)11-10-18-2-4-19(24)5-3-18/h2-9,12-13,17,22H,10-11,14-16H2,1H3/t22-,23-/m1/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	1.33E+3	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))	BDBM31657 (imidazole-dioxolane, 9) Show SMILES Oc1ccc(SC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 |r| Show InChI InChI=1S/C22H23ClN2O3S/c23-18-3-1-17(2-4-18)9-10-22(15-25-12-11-24-16-25)27-13-20(28-22)14-29-21-7-5-19(26)6-8-21/h1-8,11-12,16,20,26H,9-10,13-15H2/t20-,22+/m0/s1	UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+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 1 (Rattus norvegicus (rat))	BDBM31668 (imidazole-dioxolane, 20) Show SMILES Nc1ccc(OC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 |r| Show InChI InChI=1S/C22H24ClN3O3/c23-18-3-1-17(2-4-18)9-10-22(15-26-12-11-25-16-26)28-14-21(29-22)13-27-20-7-5-19(24)6-8-20/h1-8,11-12,16,21H,9-10,13-15,24H2/t21-,22-/m1/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	1.40E+3	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 (Rattus norvegicus (rat))	BDBM31657 (imidazole-dioxolane, 9) Show SMILES Oc1ccc(SC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 |r| Show InChI InChI=1S/C22H23ClN2O3S/c23-18-3-1-17(2-4-18)9-10-22(15-25-12-11-24-16-25)27-13-20(28-22)14-29-21-7-5-19(26)6-8-21/h1-8,11-12,16,20,26H,9-10,13-15H2/t20-,22+/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	1.59E+3	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 2 (Rattus norvegicus (rat))	BDBM31671 (imidazole-dioxolane, 23) Show SMILES Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](COc3ccccc3)O2)cc1 |r| Show InChI InChI=1S/C22H23ClN2O3/c23-19-8-6-18(7-9-19)10-11-22(16-25-13-12-24-17-25)27-15-21(28-22)14-26-20-4-2-1-3-5-20/h1-9,12-13,17,21H,10-11,14-16H2/t21-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+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 (Rattus norvegicus (rat))	BDBM31677 (imidazole-dioxolane, 29) Show SMILES Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](COc3ccc(cc3)C#N)O2)cc1 |r| Show InChI InChI=1S/C23H22ClN3O3/c24-20-5-1-18(2-6-20)9-10-23(16-27-12-11-26-17-27)29-15-22(30-23)14-28-21-7-3-19(13-25)4-8-21/h1-8,11-12,17,22H,9-10,14-16H2/t22-,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+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 1 (Rattus norvegicus (rat))	BDBM31687 (imidazole-dioxolane, 37) Show SMILES COC[C@@H]1CO[C@@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1 |r| Show InChI InChI=1S/C17H21ClN2O3/c1-21-10-16-11-22-17(23-16,12-20-9-8-19-13-20)7-6-14-2-4-15(18)5-3-14/h2-5,8-9,13,16H,6-7,10-12H2,1H3/t16-,17-/m1/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	1.73E+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				3D Structure (docked)
Cytochrome P450 3A1 (Rattus norvegicus (rat))	BDBM31665 (imidazole-dioxolane, 17) Show SMILES Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](CSc3ccc4ccccc4c3)O2)cc1 |r| Show InChI InChI=1S/C26H25ClN2O2S/c27-23-8-5-20(6-9-23)11-12-26(18-29-14-13-28-19-29)30-16-24(31-26)17-32-25-10-7-21-3-1-2-4-22(21)15-25/h1-10,13-15,19,24H,11-12,16-18H2/t24-,26+/m0/s1	UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+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 1 (Rattus norvegicus (rat))	BDBM31669 (imidazole-dioxolane, 21) Show SMILES Oc1ccc(OC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 |r| Show InChI InChI=1S/C22H23ClN2O4/c23-18-3-1-17(2-4-18)9-10-22(15-25-12-11-24-16-25)28-14-21(29-22)13-27-20-7-5-19(26)6-8-20/h1-8,11-12,16,21,26H,9-10,13-15H2/t21-,22-/m1/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	1.80E+3	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))	BDBM31652 (imidazole-dioxolane, 3) Show SMILES Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](CSc3ccccc3)O2)cc1 |r| Show InChI InChI=1S/C22H23ClN2O2S/c23-19-8-6-18(7-9-19)10-11-22(16-25-13-12-24-17-25)26-14-20(27-22)15-28-21-4-2-1-3-5-21/h1-9,12-13,17,20H,10-11,14-16H2/t20-,22+/m0/s1	UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+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 1 (Rattus norvegicus (rat))	BDBM31674 (imidazole-dioxolane, 26) Show SMILES Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](COc3ccc(cc3)-c3ccccc3)O2)cc1 |r| Show InChI InChI=1S/C28H27ClN2O3/c29-25-10-6-22(7-11-25)14-15-28(20-31-17-16-30-21-31)33-19-27(34-28)18-32-26-12-8-24(9-13-26)23-4-2-1-3-5-23/h1-13,16-17,21,27H,14-15,18-20H2/t27-,28-/m1/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	2.00E+3	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))	BDBM31669 (imidazole-dioxolane, 21) Show SMILES Oc1ccc(OC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 |r| Show InChI InChI=1S/C22H23ClN2O4/c23-18-3-1-17(2-4-18)9-10-22(15-25-12-11-24-16-25)28-14-21(29-22)13-27-20-7-5-19(26)6-8-20/h1-8,11-12,16,21,26H,9-10,13-15H2/t21-,22-/m1/s1	UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+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 1 (Rattus norvegicus (rat))	BDBM31658 (imidazole-dioxolane, 10) Show SMILES Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](CSc3ccc(Br)cc3)O2)cc1 |r| Show InChI InChI=1S/C22H22BrClN2O2S/c23-18-3-7-21(8-4-18)29-14-20-13-27-22(28-20,15-26-12-11-25-16-26)10-9-17-1-5-19(24)6-2-17/h1-8,11-12,16,20H,9-10,13-15H2/t20-,22+/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	2.10E+3	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 (Rattus norvegicus (rat))	BDBM31663 (imidazole-dioxolane, 15) Show SMILES FC(F)(F)c1ccc(SC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)nc1 |r| Show InChI InChI=1S/C22H21ClF3N3O2S/c23-18-4-1-16(2-5-18)7-8-21(14-29-10-9-27-15-29)30-12-19(31-21)13-32-20-6-3-17(11-28-20)22(24,25)26/h1-6,9-11,15,19H,7-8,12-14H2/t19-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.10E+3	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))	BDBM31658 (imidazole-dioxolane, 10) Show SMILES Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](CSc3ccc(Br)cc3)O2)cc1 |r| Show InChI InChI=1S/C22H22BrClN2O2S/c23-18-3-7-21(8-4-18)29-14-20-13-27-22(28-20,15-26-12-11-25-16-26)10-9-17-1-5-19(24)6-2-17/h1-8,11-12,16,20H,9-10,13-15H2/t20-,22+/m0/s1	UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+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
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 1 (Rattus norvegicus (rat))	BDBM31661 (imidazole-dioxolane, 13) Show SMILES Fc1ccc(SC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 |r| Show InChI InChI=1S/C22H22ClFN2O2S/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,9-10,13-15H2/t20-,22+/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	2.20E+3	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 2 (Rattus norvegicus (rat))	BDBM31658 (imidazole-dioxolane, 10) Show SMILES Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](CSc3ccc(Br)cc3)O2)cc1 |r| Show InChI InChI=1S/C22H22BrClN2O2S/c23-18-3-7-21(8-4-18)29-14-20-13-27-22(28-20,15-26-12-11-25-16-26)10-9-17-1-5-19(24)6-2-17/h1-8,11-12,16,20H,9-10,13-15H2/t20-,22+/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	2.40E+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 (Rattus norvegicus (rat))	BDBM31659 (imidazole-dioxolane, 11) Show SMILES COc1ccc(SC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 |r| Show InChI InChI=1S/C23H25ClN2O3S/c1-27-20-6-8-22(9-7-20)30-15-21-14-28-23(29-21,16-26-13-12-25-17-26)11-10-18-2-4-19(24)5-3-18/h2-9,12-13,17,21H,10-11,14-16H2,1H3/t21-,23+/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	2.50E+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 1 (Rattus norvegicus (rat))	BDBM84808 (1-azolyl-4-phenyl-2-butanone, 10 | 1-azolyl-4-phen...) Show SMILES O=C(CCc1ccccc1)Cn1ncnn1 Show InChI InChI=1S/C11H12N4O/c16-11(8-15-13-9-12-14-15)7-6-10-4-2-1-3-5-10/h1-5,9H,6-8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	7.4	25
Queen's University					Assay Description Heme oxygenase activity in rat spleen and brain microsomal fractions was determined by the quantitation of CO formed from the degradation of methemal...				Chem Biol Drug Des 75: 68-90 (2010) Article DOI: 10.1111/j.1747-0285.2009.00909.x BindingDB Entry DOI: 10.7270/Q25B0101
					More data for this Ligand-Target Pair
Heme oxygenase 1 (Rattus norvegicus (rat))	BDBM31660 (imidazole-dioxolane, 12) Show SMILES Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](CSc3ccc(Cl)cc3)O2)cc1 |r| Show InChI InChI=1S/C22H22Cl2N2O2S/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,9-10,13-15H2/t20-,22+/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	2.80E+3	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))	BDBM31664 (imidazole-dioxolane, 16) Show SMILES Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](CSC3CCCCC3)O2)cc1 |r| Show InChI InChI=1S/C22H29ClN2O2S/c23-19-8-6-18(7-9-19)10-11-22(16-25-13-12-24-17-25)26-14-20(27-22)15-28-21-4-2-1-3-5-21/h6-9,12-13,17,20-21H,1-5,10-11,14-16H2/t20-,22+/m0/s1	UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+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 1 (Rattus norvegicus (rat))	BDBM50252801 (1-(adamantan-1-yl)-2-(1H-imidazol-1-yl)ethanone hy...) Show SMILES O=C(Cn1ccnc1)C12CC3CC(CC(C3)C1)C2 |TLB:1:8:11.10.15:13,THB:1:8:11:15.14.13,9:10:13:17.8.16,9:8:11.10.15:13,16:8:11:15.14.13,16:14:11:17.9.8| Show InChI InChI=1S/C15H20N2O/c18-14(9-17-2-1-16-10-17)15-6-11-3-12(7-15)5-13(4-11)8-15/h1-2,10-13H,3-9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Curated by ChEMBL					Assay Description Inhibition of HO1 in rat spleen microsomal fraction assessed as carbon monoxide production				J Med Chem 51: 5943-52 (2008) Article DOI: 10.1021/jm800505m BindingDB Entry DOI: 10.7270/Q2RX9BWZ
					More data for this Ligand-Target Pair
Heme oxygenase 2 (Rattus norvegicus (rat))	BDBM31687 (imidazole-dioxolane, 37) Show SMILES COC[C@@H]1CO[C@@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1 |r| Show InChI InChI=1S/C17H21ClN2O3/c1-21-10-16-11-22-17(23-16,12-20-9-8-19-13-20)7-6-14-2-4-15(18)5-3-14/h2-5,8-9,13,16H,6-7,10-12H2,1H3/t16-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+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))	BDBM31672 (imidazole-dioxolane, 24) Show SMILES Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](COc3ccc(Br)cc3)O2)cc1 |r| Show InChI InChI=1S/C22H22BrClN2O3/c23-18-3-7-20(8-4-18)27-13-21-14-28-22(29-21,15-26-12-11-25-16-26)10-9-17-1-5-19(24)6-2-17/h1-8,11-12,16,21H,9-10,13-15H2/t21-,22-/m1/s1	UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+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 1 (Rattus norvegicus (rat))	BDBM31684 (imidazole-dioxolane, 34) Show SMILES ClC[C@@H]1CO[C@@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1 |r| Show InChI InChI=1S/C16H18Cl2N2O2/c17-9-15-10-21-16(22-15,11-20-8-7-19-12-20)6-5-13-1-3-14(18)4-2-13/h1-4,7-8,12,15H,5-6,9-11H2/t15-,16-/m1/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	3.50E+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				3D Structure (docked)
Heme oxygenase 1 (Rattus norvegicus (rat))	BDBM31672 (imidazole-dioxolane, 24) Show SMILES Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](COc3ccc(Br)cc3)O2)cc1 |r| Show InChI InChI=1S/C22H22BrClN2O3/c23-18-3-7-20(8-4-18)27-13-21-14-28-22(29-21,15-26-12-11-25-16-26)10-9-17-1-5-19(24)6-2-17/h1-8,11-12,16,21H,9-10,13-15H2/t21-,22-/m1/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	3.50E+3	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 (Rattus norvegicus (rat))	BDBM31685 (imidazole-dioxolane, 35) Show SMILES Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](CN=[N+]=[N-])O2)cc1 |r| Show InChI InChI=1S/C16H18ClN5O2/c17-14-3-1-13(2-4-14)5-6-16(11-22-8-7-19-12-22)23-10-15(24-16)9-20-21-18/h1-4,7-8,12,15H,5-6,9-11H2/t15-,16-/m1/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	3.60E+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 2E1 (Rattus norvegicus (rat))	BDBM31682 (imidazole-dioxolane, 32) Show SMILES FC[C@@H]1CO[C@@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1 |r| Show InChI InChI=1S/C16H18ClFN2O2/c17-14-3-1-13(2-4-14)5-6-16(11-20-8-7-19-12-20)21-10-15(9-18)22-16/h1-4,7-8,12,15H,5-6,9-11H2/t15-,16-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	7.4	n/a
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
Heme oxygenase 1 (Rattus norvegicus (rat))	BDBM31655 (CHEMBL179494 | imidazole-dioxolane, 7) Show SMILES Nc1cccc(SC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)c1 |r| Show InChI InChI=1S/C22H24ClN3O2S/c23-18-6-4-17(5-7-18)8-9-22(15-26-11-10-25-16-26)27-13-20(28-22)14-29-21-3-1-2-19(24)12-21/h1-7,10-12,16,20H,8-9,13-15,24H2/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	4.00E+3	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))	BDBM31682 (imidazole-dioxolane, 32) Show SMILES FC[C@@H]1CO[C@@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1 |r| Show InChI InChI=1S/C16H18ClFN2O2/c17-14-3-1-13(2-4-14)5-6-16(11-20-8-7-19-12-20)21-10-15(9-18)22-16/h1-4,7-8,12,15H,5-6,9-11H2/t15-,16-/m1/s1	UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+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 1 (Rattus norvegicus (rat))	BDBM31654 (CHEMBL368045 | imidazole-dioxolane, 6) Show SMILES Nc1ccccc1SC[C@@H]1CO[C@@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1 |r| Show InChI InChI=1S/C22H24ClN3O2S/c23-18-7-5-17(6-8-18)9-10-22(15-26-12-11-25-16-26)27-13-19(28-22)14-29-21-4-2-1-3-20(21)24/h1-8,11-12,16,19H,9-10,13-15,24H2/t19-,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	4.00E+3	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 (Rattus norvegicus (rat))	BDBM50183062 (1-((2-(2-(4-chlorophenyl)ethyl)-1,3-dioxolan-2-yl)...) Show SMILES Clc1ccc(CCC2(Cn3ccnc3)OCCO2)cc1 Show InChI InChI=1S/C15H17ClN2O2/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 DrugBank PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Curated by ChEMBL					Assay Description Inhibition of HO1 in rat spleen microsomal fraction assessed as carbon monoxide production				J Med Chem 51: 5943-52 (2008) Article DOI: 10.1021/jm800505m BindingDB Entry DOI: 10.7270/Q2RX9BWZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heme oxygenase 2 (Rattus norvegicus (rat))	BDBM31682 (imidazole-dioxolane, 32) Show SMILES FC[C@@H]1CO[C@@](CCc2ccc(Cl)cc2)(Cn2ccnc2)O1 |r| Show InChI InChI=1S/C16H18ClFN2O2/c17-14-3-1-13(2-4-14)5-6-16(11-20-8-7-19-12-20)21-10-15(9-18)22-16/h1-4,7-8,12,15H,5-6,9-11H2/t15-,16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+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 (Rattus norvegicus (rat))	BDBM31661 (imidazole-dioxolane, 13) Show SMILES Fc1ccc(SC[C@@H]2CO[C@@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1 |r| Show InChI InChI=1S/C22H22ClFN2O2S/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,9-10,13-15H2/t20-,22+/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	5.00E+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 1 (Rattus norvegicus (rat))	BDBM31666 (imidazole-dioxolane, 18) Show SMILES Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](CSc3cccc(Br)c3)O2)cc1 |r| Show InChI InChI=1S/C22H22BrClN2O2S/c23-18-2-1-3-21(12-18)29-14-20-13-27-22(28-20,15-26-11-10-25-16-26)9-8-17-4-6-19(24)7-5-17/h1-7,10-12,16,20H,8-9,13-15H2/t20-,22+/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	5.00E+3	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 (Rattus norvegicus (rat))	BDBM31667 (imidazole-dioxolane, 19) Show SMILES Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](CSc3ccccc3Br)O2)cc1 |r| Show InChI InChI=1S/C22H22BrClN2O2S/c23-20-3-1-2-4-21(20)29-14-19-13-27-22(28-19,15-26-12-11-25-16-26)10-9-17-5-7-18(24)8-6-17/h1-8,11-12,16,19H,9-10,13-15H2/t19-,22+/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	6.00E+3	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

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