BDBM108064 2‐({4‐[(3‐aminopropyl)(benzyl)amino]butyl}amino)‐3‐ (2‐methylprop‐1‐en‐1‐yl)naphthalene‐1,4‐dione (Compound c2)

SMILES: [#6]\[#6](-[#6])=[#6]\c1c(-[#8])c2ccccc2c(-[#8])c1-[#7]=[#6]-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#7])-[#6]-c1ccccc1

InChI Key: InChIKey=URUMHTXDTDNPPD-UHFFFAOYSA-N

Data: 2 KI

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 = 108064   

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))	BDBM108064 (2‐({4‐[(3‐aminopropyl)(benzyl)am...) Show SMILES [#6]\[#6](-[#6])=[#6]\c1c(-[#8])c2ccccc2c(-[#8])c1-[#7]=[#6]-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#7])-[#6]-c1ccccc1 |w:16.17| Show InChI InChI=1S/C28H35N3O2/c1-21(2)19-25-26(28(33)24-14-7-6-13-23(24)27(25)32)30-16-8-9-17-31(18-10-15-29)20-22-11-4-3-5-12-22/h3-7,11-14,16,19,32-33H,8-10,15,17-18,20,29H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.80E+4	-6.01	n/a	n/a	n/a	n/a	n/a	7.4	37
Institute of Chemistry, Federal University of Rio de Janeiro, Rio de Janeiro, 21941-909, Brazil.					Assay Description The reaction mixture (final volume 200 µL) contained 5 µg/mL MAO-A or MAO-B in a 50 mM sodium phosphate buffer pH 7.4, 1 mM p-tyramine (sub...				Chem Biol Drug Des 83: 401-10 (2014) Article DOI: 10.1111/cbdd.12255 BindingDB Entry DOI: 10.7270/Q2K072W1
					More data for this Ligand-Target Pair
Amine oxidase (flavin-containing) A (Homo sapiens (Human))	BDBM108064 (2‐({4‐[(3‐aminopropyl)(benzyl)am...) Show SMILES [#6]\[#6](-[#6])=[#6]\c1c(-[#8])c2ccccc2c(-[#8])c1-[#7]=[#6]-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#7])-[#6]-c1ccccc1 |w:16.17| Show InChI InChI=1S/C28H35N3O2/c1-21(2)19-25-26(28(33)24-14-7-6-13-23(24)27(25)32)30-16-8-9-17-31(18-10-15-29)20-22-11-4-3-5-12-22/h3-7,11-14,16,19,32-33H,8-10,15,17-18,20,29H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.30E+4	-5.96	n/a	n/a	n/a	n/a	n/a	7.4	37
Institute of Chemistry, Federal University of Rio de Janeiro, Rio de Janeiro, 21941-909, Brazil.					Assay Description The reaction mixture (final volume 200 µL) contained 5 µg/mL MAO-A or MAO-B in a 50 mM sodium phosphate buffer pH 7.4, 1 mM p-tyramine (sub...				Chem Biol Drug Des 83: 401-10 (2014) Article DOI: 10.1111/cbdd.12255 BindingDB Entry DOI: 10.7270/Q2K072W1
					More data for this Ligand-Target Pair