Compile Data Set for Download or QSAR

Found 7 hits of ki for monomerid = 22774   

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
Acetylcholinesterase (Homo sapiens (Human))	BDBM22774 (1,4-Benzoquinone | Benzil-related compound, 53 | C...) Show SMILES O=C1C=CC(=O)C=C1 |c:2,6| Show InChI InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents	Article PubMed	955	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Estimates of the competitive inhibition constants (Ki) were ob...				J Med Chem 48: 2906-15 (2005) Article DOI: 10.1021/jm049011j BindingDB Entry DOI: 10.7270/Q2ZP44DR
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM22774 (1,4-Benzoquinone | Benzil-related compound, 53 | C...) Show SMILES O=C1C=CC(=O)C=C1 |c:2,6| Show InChI InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents	Article PubMed	2.05E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. Estimates of the competitive inhibition constants (Ki) were ob...				J Med Chem 48: 2906-15 (2005) Article DOI: 10.1021/jm049011j BindingDB Entry DOI: 10.7270/Q2ZP44DR
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM22774 (1,4-Benzoquinone | Benzil-related compound, 53 | C...) Show SMILES O=C1C=CC(=O)C=C1 |c:2,6| Show InChI InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents	Article PubMed	9.62E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Chemistry, School of Pharmacy, Centre of Excellence for Pharmaceutical Sciences, North-West University, Private Bag X6001, Potchefstroom 2520, South Africa. Curated by ChEMBL					Assay Description Competitive inhibition of human brain mitochondria MAO-A using kynuramine as substrate by Lineweaver-Burk analysis				Eur J Med Chem 135: 196-203 (2017) Article DOI: 10.1016/j.ejmech.2017.04.055 BindingDB Entry DOI: 10.7270/Q2MW2KM1
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM22774 (1,4-Benzoquinone | Benzil-related compound, 53 | C...) Show SMILES O=C1C=CC(=O)C=C1 |c:2,6| Show InChI InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents	Article PubMed	2.03E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Chemistry, School of Pharmacy, Centre of Excellence for Pharmaceutical Sciences, North-West University, Private Bag X6001, Potchefstroom 2520, South Africa. Curated by ChEMBL					Assay Description Non-competitive inhibition of human brain mitochondria MAO-B using kynuramine as substrate by Lineweaver-Burk analysis				Eur J Med Chem 135: 196-203 (2017) Article DOI: 10.1016/j.ejmech.2017.04.055 BindingDB Entry DOI: 10.7270/Q2MW2KM1
					More data for this Ligand-Target Pair
Liver carboxylesterase 1 (Homo sapiens (Human))	BDBM22774 (1,4-Benzoquinone | Benzil-related compound, 53 | C...) Show SMILES O=C1C=CC(=O)C=C1 |c:2,6| Show InChI InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 48: 2906-15 (2005) Article DOI: 10.1021/jm049011j BindingDB Entry DOI: 10.7270/Q2ZP44DR
					More data for this Ligand-Target Pair
Liver carboxylesterase 1 (Oryctolagus cuniculus (rabbit))	BDBM22774 (1,4-Benzoquinone | Benzil-related compound, 53 | C...) Show SMILES O=C1C=CC(=O)C=C1 |c:2,6| Show InChI InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 48: 2906-15 (2005) Article DOI: 10.1021/jm049011j BindingDB Entry DOI: 10.7270/Q2ZP44DR
					More data for this Ligand-Target Pair
Coagulation factor XII (Homo sapiens (Human))	BDBM22774 (1,4-Benzoquinone | Benzil-related compound, 53 | C...) Show SMILES O=C1C=CC(=O)C=C1 |c:2,6| Show InChI InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi					Assay Description CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...				J Med Chem 48: 2906-15 (2005) Article DOI: 10.1021/jm049011j BindingDB Entry DOI: 10.7270/Q2ZP44DR
					More data for this Ligand-Target Pair