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BDBM50190415 5-methyl-(3S)-3-{[5-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-4,5-dihydro-isoxazole-3-carbonyl]-amino}-hexanoic acid tert-butyl ester::CHEMBL211947

SMILES: CC(C)C[C@@H](CC(=O)OC(C)(C)C)NC(=O)C1=NOC(C1)C(O)(C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=DDFGGFJZDBWIBY-NUHJPDEHSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50190415   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Malonyl-CoA decarboxylase


(Homo sapiens (Human))		BDBM50190415
PNG
(5-methyl-(3S)-3-{[5-(2,2,2-trifluoro-1-hydroxy-1-t...)
Show SMILES CC(C)C[C@@H](CC(=O)OC(C)(C)C)NC(=O)C1=NOC(C1)C(O)(C(F)(F)F)C(F)(F)F |t:16|
Show InChI InChI=1S/C18H26F6N2O5/c1-9(2)6-10(7-13(27)30-15(3,4)5)25-14(28)11-8-12(31-26-11)16(29,17(19,20)21)18(22,23)24/h9-10,12,29H,6-8H2,1-5H3,(H,25,28)/t10-,12?/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of malonyl-coenzyme A decarboxylase

J Med Chem 49: 4055-8 (2006)


Article DOI: 10.1021/jm0605029
BindingDB Entry DOI: 10.7270/Q2Q81CQ7
More data for this
Ligand-Target Pair