null

SMILES: Clc1ccc(CCC2(Cn3ccnc3)OCCO2)cc1

InChI Key: InChIKey=NPIOYRIZNLPLDH-UHFFFAOYSA-N

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 11 hits for monomerid = 50183062   

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 (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)
Nitric oxide synthase, brain (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.82E+5	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Curated by ChEMBL					Assay Description Inhibition of rat brain nNOS				J Med Chem 49: 4437-41 (2006) Article DOI: 10.1021/jm0511435 BindingDB Entry DOI: 10.7270/Q2GH9JR1
					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	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat spleen HO1				J Med Chem 49: 4437-41 (2006) Article DOI: 10.1021/jm0511435 BindingDB Entry DOI: 10.7270/Q2GH9JR1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heme oxygenase 2 (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 GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat brain HO2				J Med Chem 49: 4437-41 (2006) Article DOI: 10.1021/jm0511435 BindingDB Entry DOI: 10.7270/Q2GH9JR1
					More data for this Ligand-Target Pair
Cytochrome P450 2E1 (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	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem 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 Inhibition of rat liver CYP2E1				J Med Chem 49: 4437-41 (2006) Article DOI: 10.1021/jm0511435 BindingDB Entry DOI: 10.7270/Q2GH9JR1
					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	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Inhibition of recombinant truncated HO-1 (Met1 to Pro267) in rat spleen microsomes expressed in Escherichia coli by spectrometry based assay				Eur J Med Chem 167: 439-453 (2019) Article DOI: 10.1016/j.ejmech.2019.02.027 BindingDB Entry DOI: 10.7270/Q2P55S0Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
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 Sprague-Dawley rat spleen microsome HO1				Bioorg Med Chem 15: 3225-34 (2007) Article DOI: 10.1016/j.bmc.2007.02.034 BindingDB Entry DOI: 10.7270/Q2MG7QBV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heme oxygenase 2 (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 GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	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 (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	2.80E+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				3D Structure (crystal)
Heme oxygenase 2 (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 GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Inhibition of recombinant truncated HO-2 (Met1 to Ala288) in rat brain microsomes expressed in Escherichia coli by spectrometry based assay				Eur J Med Chem 167: 439-453 (2019) Article DOI: 10.1016/j.ejmech.2019.02.027 BindingDB Entry DOI: 10.7270/Q2P55S0Z
					More data for this Ligand-Target Pair
Heme oxygenase 2 (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 GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Queen's University Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat brain microsome HO2				Bioorg Med Chem 15: 3225-34 (2007) Article DOI: 10.1016/j.bmc.2007.02.034 BindingDB Entry DOI: 10.7270/Q2MG7QBV
					More data for this Ligand-Target Pair