BDBM50075995 CHEMBL3415786

SMILES: OC(=O)C([O-])=O.C=C(C[NH2+]CC#C)c1cccc(COc2ccccc2)c1

InChI Key: InChIKey=OZJZCRJWHROKLR-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 = 50075995   

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))	BDBM50075995 (CHEMBL3415786) Show SMILES OC(=O)C([O-])=O.C=C(C[NH2+]CC#C)c1cccc(COc2ccccc2)c1 Show InChI InChI=1S/C19H19NO/c1-3-12-20-14-16(2)18-9-7-8-17(13-18)15-21-19-10-5-4-6-11-19/h1,4-11,13,20H,2,12,14-15H2/p+1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30	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))	BDBM50075995 (CHEMBL3415786) Show SMILES OC(=O)C([O-])=O.C=C(C[NH2+]CC#C)c1cccc(COc2ccccc2)c1 Show InChI InChI=1S/C19H19NO/c1-3-12-20-14-16(2)18-9-7-8-17(13-18)15-21-19-10-5-4-6-11-19/h1,4-11,13,20H,2,12,14-15H2/p+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	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