BDBM50075974 CHEMBL3415783

SMILES: OC(=O)C([O-])=O.C[NH+](CC#C)CC(=C)c1cccc(COc2ccc(F)cc2)c1

InChI Key: InChIKey=AJUPQMITOUQIFD-UHFFFAOYSA-O

Data: 2 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 2 hits for monomerid = 50075974   

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))	BDBM50075974 (CHEMBL3415783) Show SMILES OC(=O)C([O-])=O.C[NH+](CC#C)CC(=C)c1cccc(COc2ccc(F)cc2)c1 Show InChI InChI=1S/C20H20FNO/c1-4-12-22(3)14-16(2)18-7-5-6-17(13-18)15-23-20-10-8-19(21)9-11-20/h1,5-11,13H,2,12,14-15H2,3H3/p+1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
A* STAR (Agency of Science, Technology and Research) Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-A expressed in Sf9 cells using 5-hydroxytryptamine substrate assessed as hydrogen peroxide production after 1 hr ...				J Med Chem 58: 1400-19 (2015) Article DOI: 10.1021/jm501722s BindingDB Entry DOI: 10.7270/Q2V989R3
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50075974 (CHEMBL3415783) Show SMILES OC(=O)C([O-])=O.C[NH+](CC#C)CC(=C)c1cccc(COc2ccc(F)cc2)c1 Show InChI InChI=1S/C20H20FNO/c1-4-12-22(3)14-16(2)18-7-5-6-17(13-18)15-23-20-10-8-19(21)9-11-20/h1,5-11,13H,2,12,14-15H2,3H3/p+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
A* STAR (Agency of Science, Technology and Research) Curated by ChEMBL					Assay Description Inhibition of human recombinant MAO-B expressed in Sf9 cells using 5-phenylacetaldehyde substrate assessed as hydrogen peroxide production after 1 hr...				J Med Chem 58: 1400-19 (2015) Article DOI: 10.1021/jm501722s BindingDB Entry DOI: 10.7270/Q2V989R3
					More data for this Ligand-Target Pair