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BDBM36479 MAG-3

SMILES: CC(C)(C)OC(=O)NCCC(=O)Oc1ccc(cc1Cl)C(=O)Oc1ccc2c3CCCc3c(=O)oc2c1

InChI Key: InChIKey=OJWYIOQBULJUJV-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 36479   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM36479
PNG
(MAG-3)
Show SMILES CC(C)(C)OC(=O)NCCC(=O)Oc1ccc(cc1Cl)C(=O)Oc1ccc2c3CCCc3c(=O)oc2c1
Show InChI InChI=1S/C27H26ClNO8/c1-27(2,3)37-26(33)29-12-11-23(30)35-21-10-7-15(13-20(21)28)24(31)34-16-8-9-18-17-5-4-6-19(17)25(32)36-22(18)14-16/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,29,33)
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Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Harvard Medical School



Assay Description
Momoamine oxidase type B(MAO-B) activity in vitro assay using molecules that caused a photomotor response (PMR) "magnitude stimulant' (MAG) pheno...


Nat Chem Biol 6: 231-237 (2010)


Article DOI: 10.1038/nchembio.307
BindingDB Entry DOI: 10.7270/Q2GX48X6
More data for this
Ligand-Target Pair