BDBM86776 Phthalonitrile analogue, 4e

SMILES: N#Cc1ccc(OC\C=C\c2ccccc2)cc1C#N

InChI Key: InChIKey=HWZWTQAGSPYDRR-QPJJXVBHSA-N

Data: 4 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 4 hits for monomerid = 86776   

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
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM86776 (Phthalonitrile analogue, 4e) Show SMILES N#Cc1ccc(OC\C=C\c2ccccc2)cc1C#N Show InChI InChI=1S/C17H12N2O/c18-12-15-8-9-17(11-16(15)13-19)20-10-4-7-14-5-2-1-3-6-14/h1-9,11H,10H2/b7-4+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	399	n/a	n/a	n/a	n/a	7.4	-70
North-West University					Assay Description MAO inhibition potencies of phthalonitrile, benzonitrile and benzyl phenyl ether analogs, recombinant human MAO-A and -B were employed as enzyme sour...				Bioorg Chem 40: 114-24 (2012) Article DOI: 10.1016/j.bioorg.2011.10.003 BindingDB Entry DOI: 10.7270/Q2W66JB4
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM86776 (Phthalonitrile analogue, 4e) Show SMILES N#Cc1ccc(OC\C=C\c2ccccc2)cc1C#N Show InChI InChI=1S/C17H12N2O/c18-12-15-8-9-17(11-16(15)13-19)20-10-4-7-14-5-2-1-3-6-14/h1-9,11H,10H2/b7-4+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	642	n/a	n/a	n/a	n/a	n/a	n/a
Yaroslavl State Technical University Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B assessed as kynuramine oxidation to 4-hydroxyquinoline formation by spectrofluorometric analysis				Bioorg Med Chem Lett 25: 1206-11 (2015) Article DOI: 10.1016/j.bmcl.2015.01.061 BindingDB Entry DOI: 10.7270/Q2M32XDJ
					More data for this Ligand-Target Pair
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM86776 (Phthalonitrile analogue, 4e) Show SMILES N#Cc1ccc(OC\C=C\c2ccccc2)cc1C#N Show InChI InChI=1S/C17H12N2O/c18-12-15-8-9-17(11-16(15)13-19)20-10-4-7-14-5-2-1-3-6-14/h1-9,11H,10H2/b7-4+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	399	n/a	n/a	n/a	n/a	n/a	n/a
Yaroslavl State Technical University Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-A assessed as kynuramine oxidation to 4-hydroxyquinoline formation by spectrofluorometric analysis				Bioorg Med Chem Lett 25: 1206-11 (2015) Article DOI: 10.1016/j.bmcl.2015.01.061 BindingDB Entry DOI: 10.7270/Q2M32XDJ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM86776 (Phthalonitrile analogue, 4e) Show SMILES N#Cc1ccc(OC\C=C\c2ccccc2)cc1C#N Show InChI InChI=1S/C17H12N2O/c18-12-15-8-9-17(11-16(15)13-19)20-10-4-7-14-5-2-1-3-6-14/h1-9,11H,10H2/b7-4+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	7.4	-70
North-West University					Assay Description MAO inhibition potencies of phthalonitrile, benzonitrile and benzyl phenyl ether analogs, recombinant human MAO-A and -B were employed as enzyme sour...				Bioorg Chem 40: 114-24 (2012) Article DOI: 10.1016/j.bioorg.2011.10.003 BindingDB Entry DOI: 10.7270/Q2W66JB4
					More data for this Ligand-Target Pair