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SMILES: CN(C)c1ccc(NC(=S)c2cnoc2C2CC2)cc1

InChI Key: InChIKey=KWZKTQAVNDHVNN-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50071407   
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
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))		BDBM50071407
PNG
(5-Cyclopropyl-isoxazole-4-carbothioic acid (4-dime...)
Show SMILES CN(C)c1ccc(NC(=S)c2cnoc2C2CC2)cc1
Show InChI InChI=1S/C15H17N3OS/c1-18(2)12-7-5-11(6-8-12)17-15(20)13-9-16-19-14(13)10-3-4-10/h5-10H,3-4H2,1-2H3,(H,17,20)
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PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Immunosuppressive activity of the compound expressed as ability to inhibit human recombinant dihydroorotate dehydrogenase (DHODH)

Bioorg Med Chem Lett 8: 2203-8 (1999)


BindingDB Entry DOI: 10.7270/Q2QN65X4
More data for this
Ligand-Target Pair