BDBM50075967 CHEMBL3415615

SMILES: OC(=O)C([O-])=O.C[NH+](CC#C)CC(=C)c1cccc(CNc2ccccc2)c1

InChI Key: InChIKey=LUXDGSMUYQDCET-UHFFFAOYSA-O

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 = 50075967   

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] B (Homo sapiens (Human))	BDBM50075967 (CHEMBL3415615) Show SMILES OC(=O)C([O-])=O.C[NH+](CC#C)CC(=C)c1cccc(CNc2ccccc2)c1 Show InChI InChI=1S/C20H22N2/c1-4-13-22(3)16-17(2)19-10-8-9-18(14-19)15-21-20-11-6-5-7-12-20/h1,5-12,14,21H,2,13,15-16H2,3H3/p+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	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
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM50075967 (CHEMBL3415615) Show SMILES OC(=O)C([O-])=O.C[NH+](CC#C)CC(=C)c1cccc(CNc2ccccc2)c1 Show InChI InChI=1S/C20H22N2/c1-4-13-22(3)16-17(2)19-10-8-9-18(14-19)15-21-20-11-6-5-7-12-20/h1,5-12,14,21H,2,13,15-16H2,3H3/p+1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40	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
Monoamine oxidase (Rattus norvegicus (rat))	BDBM50075967 (CHEMBL3415615) Show SMILES OC(=O)C([O-])=O.C[NH+](CC#C)CC(=C)c1cccc(CNc2ccccc2)c1 Show InChI InChI=1S/C20H22N2/c1-4-13-22(3)16-17(2)19-10-8-9-18(14-19)15-21-20-11-6-5-7-12-20/h1,5-12,14,21H,2,13,15-16H2,3H3/p+1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	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 rat brain MAO-A in nuclei-free homogenates using [14C]hydroxytryptamine substrate after 20 mins by liquid scintillation counting				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
Monoamine Oxidase Type B (MAO-B) (Rattus norvegicus (rat))	BDBM50075967 (CHEMBL3415615) Show SMILES OC(=O)C([O-])=O.C[NH+](CC#C)CC(=C)c1cccc(CNc2ccccc2)c1 Show InChI InChI=1S/C20H22N2/c1-4-13-22(3)16-17(2)19-10-8-9-18(14-19)15-21-20-11-6-5-7-12-20/h1,5-12,14,21H,2,13,15-16H2,3H3/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	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 rat brain MAO-B in nuclei-free homogenates using [14C]phenylacetaldehyde substrate after 20 mins by liquid scintillation counting				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