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BDBM50024733 CHEMBL3342426

SMILES: Cc1nn(C)c(O)c1C(=O)c1ccc2nc(C)n(-c3ccc(C)cc3F)c(=O)c2c1

InChI Key: InChIKey=HJKSWNDSPGJORC-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50024733   
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
4-hydroxyphenylpyruvate dioxygenase


(Homo sapiens (Human))		BDBM50024733
PNG
(CHEMBL3342426)
Show SMILES Cc1nn(C)c(O)c1C(=O)c1ccc2nc(C)n(-c3ccc(C)cc3F)c(=O)c2c1 |(40.74,-42.2,;39.58,-41.19,;38.08,-41.55,;37.28,-40.23,;35.75,-40.1,;38.28,-39.06,;37.93,-37.56,;39.71,-39.66,;41.03,-38.86,;41,-37.32,;42.38,-39.61,;42.4,-41.15,;43.75,-41.89,;45.07,-41.1,;46.42,-41.84,;47.75,-41.04,;49.1,-41.78,;47.72,-39.49,;49.03,-38.69,;50.37,-39.43,;51.69,-38.63,;51.66,-37.09,;52.97,-36.29,;50.3,-36.35,;48.99,-37.15,;47.63,-36.42,;46.35,-38.74,;46.32,-37.2,;45.03,-39.55,;43.68,-38.81,)|
Show InChI InChI=1S/C22H19FN4O3/c1-11-5-8-18(16(23)9-11)27-13(3)24-17-7-6-14(10-15(17)21(27)29)20(28)19-12(2)25-26(4)22(19)30/h5-10,30H,1-4H3
PDB

KEGG

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Similars
Article
PubMed
 81n/an/an/an/an/an/an/an/a



Central China Normal University

Curated by ChEMBL


Assay Description
Inhibition of purified His6-tagged recombinant human HPPD assessed as inhibition of maleylacetoacetate formation after 30 mins by UV/visible spectrop...

Bioorg Med Chem 22: 5194-211 (2014)


Article DOI: 10.1016/j.bmc.2014.08.011
BindingDB Entry DOI: 10.7270/Q2DF6SRG
More data for this
Ligand-Target Pair