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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Amine oxidase [flavin-containing] A' and Ligand = 'BDBM218824'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM218824
PNG
(1,2-Bis(2-octanoylimino-5-(2-methoxy-2-oxoethylide...)
Show SMILES CCCCCCCC(=O)\N=C1/S\C(=C/C(=O)OC)C(=O)N1c1ccccc1N1\C(S\C(=C/C(=O)OC)C1=O)=N\C(=O)CCCCCCC
Show InChI InChI=1S/C34H42N4O8S2/c1-5-7-9-11-13-19-27(39)35-33-37(31(43)25(47-33)21-29(41)45-3)23-17-15-16-18-24(23)38-32(44)26(22-30(42)46-4)48-34(38)36-28(40)20-14-12-10-8-6-2/h15-18,21-22H,5-14,19-20H2,1-4H3/b25-21-,26-22-,35-33-,36-34-
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 930n/an/an/an/a7.4n/a



Quaid-i-Azam University



Assay Description
The assay was performed in a polystyrene 96-well plate having flat bottom containing 200 μL of the total reaction mixture. For each assay, mixtu...

Bioorg Chem 70: 17-26 (2017)


Article DOI: 10.1016/j.bioorg.2016.11.004
BindingDB Entry DOI: 10.7270/Q2WM1C7Z
More data for this
Ligand-Target Pair