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BDBM50366448 CHEMBL1907705

SMILES: COC[C@@H](COc1ccc(OCc2cccc(c2)C(F)(F)F)cc1C(C)=O)OC(=O)OC

InChI Key: InChIKey=IADJXPUWYAVHDE-SFHVURJKSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50366448   
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
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50366448
PNG
(CHEMBL1907705)
Show SMILES COC[C@@H](COc1ccc(OCc2cccc(c2)C(F)(F)F)cc1C(C)=O)OC(=O)OC
Show InChI InChI=1S/C22H23F3O7/c1-14(26)19-10-17(30-11-15-5-4-6-16(9-15)22(23,24)25)7-8-20(19)31-13-18(12-28-2)32-21(27)29-3/h4-10,18H,11-13H2,1-3H3/t18-/m0/s1
PDB
MMDB

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Article
n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against monoamine oxidase B (MAO-B).


Bioorg Med Chem Lett 6: 115-120 (1996)


Article DOI: 10.1016/0960-894X(95)00561-7
BindingDB Entry DOI: 10.7270/Q2WS8TQ0
More data for this
Ligand-Target Pair