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SMILES: CSc1nc(O)c(C(=O)Nc2cc(F)c(cc2F)-c2c[nH]nn2)c(=O)[nH]1

InChI Key: InChIKey=XSIQYTWQSVFNDF-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 499672   
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
Xanthine dehydrogenase/oxidase


(Homo sapiens (Human))		BDBM499672
PNG
(US11020397, Compound Formula-(IIcc))
Show SMILES CSc1nc(O)c(C(=O)Nc2cc(F)c(cc2F)-c2c[nH]nn2)c(=O)[nH]1
Show InChI InChI=1S/C14H10F2N6O3S/c1-26-14-19-12(24)10(13(25)20-14)11(23)18-8-3-6(15)5(2-7(8)16)9-4-17-22-21-9/h2-4H,1H3,(H,18,23)(H,17,21,22)(H2,19,20,24,25)
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KEGG

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.519n/an/an/an/an/an/a



Acquist LLC

US Patent


Assay Description
Xanthine oxidase inhibition was determined using a standard fluorescence-based assay for xanthine oxidase activity (McHale A, Grimes H, Coughlan M P:...

US Patent US11020397 (2021)

More data for this
Ligand-Target Pair