BDBM84805 1-azolyl-4-phenyl-2-butanone, 7

SMILES: O=C(CCc1ccccc1)Cn1cncn1

InChI Key: InChIKey=WVMHBWUDAPTOQF-UHFFFAOYSA-N

Data: 8 IC50

PDB links: 1 PDB ID matches this monomer.

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 8 hits for monomerid = 84805   

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 2 (HO-2) (Rattus norvegicus (rat))	BDBM84805 (1-azolyl-4-phenyl-2-butanone, 7) Show SMILES O=C(CCc1ccccc1)Cn1cncn1 Show InChI InChI=1S/C12H13N3O/c16-12(8-15-10-13-9-14-15)7-6-11-4-2-1-3-5-11/h1-5,9-10H,6-8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.40E+4	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 HO-2 assessed as bilirubin formation after 60 mins by spectrophotometric analysis				Bioorg Med Chem 21: 5145-53 (2013) Article DOI: 10.1016/j.bmc.2013.06.040 BindingDB Entry DOI: 10.7270/Q2FF3TSH
					More data for this Ligand-Target Pair
Heme Oxygenase 1 (HO-1) (Rattus norvegicus (rat))	BDBM84805 (1-azolyl-4-phenyl-2-butanone, 7) Show SMILES O=C(CCc1ccccc1)Cn1cncn1 Show InChI InChI=1S/C12H13N3O/c16-12(8-15-10-13-9-14-15)7-6-11-4-2-1-3-5-11/h1-5,9-10H,6-8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.60E+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 spleen microsomal HO-1 assessed as bilirubin formation after 60 mins by spectrophotometric analysis				Bioorg Med Chem 21: 5145-53 (2013) Article DOI: 10.1016/j.bmc.2013.06.040 BindingDB Entry DOI: 10.7270/Q2FF3TSH
					More data for this Ligand-Target Pair
Heme Oxygenase 1 (HO-1) (Rattus norvegicus (rat))	BDBM84805 (1-azolyl-4-phenyl-2-butanone, 7) Show SMILES O=C(CCc1ccccc1)Cn1cncn1 Show InChI InChI=1S/C12H13N3O/c16-12(8-15-10-13-9-14-15)7-6-11-4-2-1-3-5-11/h1-5,9-10H,6-8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.50E+6	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 2 (Rattus norvegicus (rat))	BDBM84805 (1-azolyl-4-phenyl-2-butanone, 7) Show SMILES O=C(CCc1ccccc1)Cn1cncn1 Show InChI InChI=1S/C12H13N3O/c16-12(8-15-10-13-9-14-15)7-6-11-4-2-1-3-5-11/h1-5,9-10H,6-8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+4	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 rat brain microsomes using NADPH as substrate preincubated for 10 mins followed by substrate addition and measur...				Eur J Med Chem 167: 439-453 (2019) Article DOI: 10.1016/j.ejmech.2019.02.027
					More data for this Ligand-Target Pair
Heme Oxygenase 2 (HO-2) (Rattus norvegicus (rat))	BDBM84805 (1-azolyl-4-phenyl-2-butanone, 7) Show SMILES O=C(CCc1ccccc1)Cn1cncn1 Show InChI InChI=1S/C12H13N3O/c16-12(8-15-10-13-9-14-15)7-6-11-4-2-1-3-5-11/h1-5,9-10H,6-8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+4	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 1 (HO-1) (Rattus norvegicus (rat))	BDBM84805 (1-azolyl-4-phenyl-2-butanone, 7) Show SMILES O=C(CCc1ccccc1)Cn1cncn1 Show InChI InChI=1S/C12H13N3O/c16-12(8-15-10-13-9-14-15)7-6-11-4-2-1-3-5-11/h1-5,9-10H,6-8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.50E+3	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
Heme oxygenase 1 (Rattus norvegicus (rat))	BDBM84805 (1-azolyl-4-phenyl-2-butanone, 7) Show SMILES O=C(CCc1ccccc1)Cn1cncn1 Show InChI InChI=1S/C12H13N3O/c16-12(8-15-10-13-9-14-15)7-6-11-4-2-1-3-5-11/h1-5,9-10H,6-8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.50E+3	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 rat spleen microsomes using NADPH as substrate preincubated for 10 mins followed by substrate addition and measu...				Eur J Med Chem 167: 439-453 (2019) Article DOI: 10.1016/j.ejmech.2019.02.027
					More data for this Ligand-Target Pair
Heme Oxygenase 2 (HO-2) (Rattus norvegicus (rat))	BDBM84805 (1-azolyl-4-phenyl-2-butanone, 7) Show SMILES O=C(CCc1ccccc1)Cn1cncn1 Show InChI InChI=1S/C12H13N3O/c16-12(8-15-10-13-9-14-15)7-6-11-4-2-1-3-5-11/h1-5,9-10H,6-8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+4	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