BindingDB PrimarySearch

null

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

InChI Key: InChIKey=VYNIUBZKEWJOJP-UNMCSNQZSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50044424
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Heme oxygenase 1 (Rattus norvegicus (rat))	BDBM50044424 (4-(((2S,4S)-2-((1H-imidazol-1-yl)methyl)-2-(4-chlo...) Show SMILES Show InChI	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	5.30E+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
University of Catania Curated by ChEMBL					More data for this Ligand-Target Pair
Heme oxygenase 1 (Rattus norvegicus (rat))	BDBM50044424 (4-(((2S,4S)-2-((1H-imidazol-1-yl)methyl)-2-(4-chlo...) Show SMILES Show InChI	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	5.30E+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
Queen's University Curated by ChEMBL					More data for this Ligand-Target Pair
Heme oxygenase 1 (Rattus norvegicus (rat))	BDBM50044424 (4-(((2S,4S)-2-((1H-imidazol-1-yl)methyl)-2-(4-chlo...) Show SMILES Show InChI	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	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Sprague-Dawley rat spleen microsome HO-1 assessed as bilirubin formation incubated for 60 mins by double-beam spectrophotometry				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00633 BindingDB Entry DOI: 10.7270/Q23F4TJN
TBA					More data for this Ligand-Target Pair
Heme oxygenase 1 (Rattus norvegicus (rat))	BDBM50044424 (4-(((2S,4S)-2-((1H-imidazol-1-yl)methyl)-2-(4-chlo...) Show SMILES Show InChI	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	5.50E+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
University of Catania Curated by ChEMBL					More data for this Ligand-Target Pair
Heme oxygenase 1 (Rattus norvegicus (rat))	BDBM50044424 (4-(((2S,4S)-2-((1H-imidazol-1-yl)methyl)-2-(4-chlo...) Show SMILES Show InChI	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	6.00E+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
Queen's University Curated by ChEMBL					More data for this Ligand-Target Pair
Heme oxygenase 1 (Rattus norvegicus (rat))	BDBM50044424 (4-(((2S,4S)-2-((1H-imidazol-1-yl)methyl)-2-(4-chlo...) Show SMILES Show InChI	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	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Inhibition of heme oxygenase 1 in Sprague-Dawley rat spleen microsomal fraction assessed as decrease in bilirubin formation using biliverdin reductas...				Eur J Med Chem 158: 937-950 (2018) Article DOI: 10.1016/j.ejmech.2018.09.048 BindingDB Entry DOI: 10.7270/Q2NK3HQ4
University of Catania Curated by ChEMBL					More data for this Ligand-Target Pair
Heme oxygenase 1 (Rattus norvegicus (rat))	BDBM50044424 (4-(((2S,4S)-2-((1H-imidazol-1-yl)methyl)-2-(4-chlo...) Show SMILES Show InChI	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	6.00E+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 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
Queen's University Curated by ChEMBL					More data for this Ligand-Target Pair
Heme oxygenase 2 (Rattus norvegicus (rat))	BDBM50044424 (4-(((2S,4S)-2-((1H-imidazol-1-yl)methyl)-2-(4-chlo...) Show SMILES Show InChI	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	2.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Sprague-Dawley rat brain microsome HO-2 assessed as bilirubin formation incubated for 60 mins by double-beam spectrophotometry				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00633 BindingDB Entry DOI: 10.7270/Q23F4TJN
TBA					More data for this Ligand-Target Pair
Heme oxygenase 2 (Rattus norvegicus (rat))	BDBM50044424 (4-(((2S,4S)-2-((1H-imidazol-1-yl)methyl)-2-(4-chlo...) Show SMILES Show InChI	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	2.44E+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
University of Catania Curated by ChEMBL					More data for this Ligand-Target Pair
Heme oxygenase 2 (Rattus norvegicus (rat))	BDBM50044424 (4-(((2S,4S)-2-((1H-imidazol-1-yl)methyl)-2-(4-chlo...) Show SMILES Show InChI	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	2.45E+4	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
Queen's University Curated by ChEMBL					More data for this Ligand-Target Pair
Heme oxygenase 2 (Rattus norvegicus (rat))	BDBM50044424 (4-(((2S,4S)-2-((1H-imidazol-1-yl)methyl)-2-(4-chlo...) Show SMILES Show InChI	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	2.45E+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
University of Catania Curated by ChEMBL					More data for this Ligand-Target Pair
Heme oxygenase 2 (Rattus norvegicus (rat))	BDBM50044424 (4-(((2S,4S)-2-((1H-imidazol-1-yl)methyl)-2-(4-chlo...) Show SMILES Show InChI	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	2.80E+4	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
Queen's University Curated by ChEMBL					More data for this Ligand-Target Pair
Heme oxygenase 2 (Rattus norvegicus (rat))	BDBM50044424 (4-(((2S,4S)-2-((1H-imidazol-1-yl)methyl)-2-(4-chlo...) Show SMILES Show InChI	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	2.80E+4	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
Queen's University Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial (Homo sapiens (Human))	BDBM50044424 (4-(((2S,4S)-2-((1H-imidazol-1-yl)methyl)-2-(4-chlo...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Discovery Research Curated by ChEMBL					Assay Description Binding affinity for corticoid 11-beta-hydroxylase				J Med Chem 36: 2235-7 (1993) BindingDB Entry DOI: 10.7270/Q2ZW1K0P
Syntex Discovery Research Curated by ChEMBL					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50044424 (4-(((2S,4S)-2-((1H-imidazol-1-yl)methyl)-2-(4-chlo...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Discovery Research Curated by ChEMBL					Assay Description Binding affinity for Cytochrome P450 19A1				J Med Chem 36: 2235-7 (1993) BindingDB Entry DOI: 10.7270/Q2ZW1K0P
Syntex Discovery Research Curated by ChEMBL					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50044424 (4-(((2S,4S)-2-((1H-imidazol-1-yl)methyl)-2-(4-chlo...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	447	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Discovery Research Curated by ChEMBL					Assay Description Binding affinity for progesterone 17-alpha,20-lyase				J Med Chem 36: 2235-7 (1993) BindingDB Entry DOI: 10.7270/Q2ZW1K0P
Syntex Discovery Research Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50044424 (4-(((2S,4S)-2-((1H-imidazol-1-yl)methyl)-2-(4-chlo...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Discovery Research Curated by ChEMBL					Assay Description Binding affinity for progesterone 6-beta-hydroxylase of hepatic microsomes				J Med Chem 36: 2235-7 (1993) BindingDB Entry DOI: 10.7270/Q2ZW1K0P
Syntex Discovery Research Curated by ChEMBL					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50044424 (4-(((2S,4S)-2-((1H-imidazol-1-yl)methyl)-2-(4-chlo...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.63E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Discovery Research Curated by ChEMBL					Assay Description Binding affinity for cholesterol 17-alpha-hydroxylase				J Med Chem 36: 2235-7 (1993) BindingDB Entry DOI: 10.7270/Q2ZW1K0P
Syntex Discovery Research Curated by ChEMBL					More data for this Ligand-Target Pair