BDBM50038158 CHEMBL3093992

SMILES: COc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12

InChI Key: InChIKey=YKXFPOCPPNXZTR-UHFFFAOYSA-N

Data: 3 IC50

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 3 hits for monomerid = 50038158   

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
Monoamine Oxidase Type B (MAO-B) (Rattus norvegicus (rat))	BDBM50038158 (CHEMBL3093992) Show SMILES COc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12 Show InChI InChI=1S/C17H13ClO4/c1-20-15-9-17(19)22-16-8-13(5-6-14(15)16)21-10-11-3-2-4-12(18)7-11/h2-9H,10H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat MAO-B in brain mitochondrial homogenate assessed as 4-hydroxyquinoline by spectrophotometric method				Eur J Med Chem 89: 98-105 (2014) Article DOI: 10.1016/j.ejmech.2014.10.029 BindingDB Entry DOI: 10.7270/Q2FX7C3H
					More data for this Ligand-Target Pair
Monoamine oxidase (Rattus norvegicus (rat))	BDBM50038158 (CHEMBL3093992) Show SMILES COc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12 Show InChI InChI=1S/C17H13ClO4/c1-20-15-9-17(19)22-16-8-13(5-6-14(15)16)21-10-11-3-2-4-12(18)7-11/h2-9H,10H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.17E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari "Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat MAO-A using Kynuramine as substrate assessed as formation of 4-hydroxyquinoline preincubated for 5 mins prior to sub...				Eur J Med Chem 70: 723-39 (2013) Article DOI: 10.1016/j.ejmech.2013.09.034 BindingDB Entry DOI: 10.7270/Q2WM1HCD
					More data for this Ligand-Target Pair
Monoamine oxidase (Rattus norvegicus (rat))	BDBM50038158 (CHEMBL3093992) Show SMILES COc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12 Show InChI InChI=1S/C17H13ClO4/c1-20-15-9-17(19)22-16-8-13(5-6-14(15)16)21-10-11-3-2-4-12(18)7-11/h2-9H,10H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari "Aldo Moro" Curated by ChEMBL					Assay Description Inhibition of Sprague-Dawley rat MAO-B using Kynuramine as substrate assessed as formation of 4-hydroxyquinoline preincubated for 5 mins prior to sub...				Eur J Med Chem 70: 723-39 (2013) Article DOI: 10.1016/j.ejmech.2013.09.034 BindingDB Entry DOI: 10.7270/Q2WM1HCD
					More data for this Ligand-Target Pair