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BDBM50024734 CHEMBL3342425

SMILES: Cc1nn(C)c(O)c1C(=O)c1ccc2nc(C)n(-c3ccc(C)cc3C)c(=O)c2c1

InChI Key: InChIKey=KYHKWWFZYPCNDA-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50024734   
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))		BDBM50024734
PNG
(CHEMBL3342425)
Show SMILES Cc1nn(C)c(O)c1C(=O)c1ccc2nc(C)n(-c3ccc(C)cc3C)c(=O)c2c1 |(19.88,-42.14,;18.71,-41.13,;17.21,-41.48,;16.42,-40.17,;14.88,-40.04,;17.42,-39,;17.06,-37.5,;18.84,-39.6,;20.16,-38.8,;20.13,-37.26,;21.51,-39.54,;21.53,-41.09,;22.88,-41.83,;24.2,-41.04,;25.55,-41.78,;26.88,-40.98,;28.23,-41.72,;26.85,-39.43,;28.16,-38.63,;29.51,-39.37,;30.82,-38.57,;30.79,-37.03,;32.11,-36.23,;29.43,-36.29,;28.12,-37.09,;26.77,-36.36,;25.48,-38.68,;25.45,-37.14,;24.17,-39.49,;22.82,-38.75,)|
Show InChI InChI=1S/C23H22N4O3/c1-12-6-9-19(13(2)10-12)27-15(4)24-18-8-7-16(11-17(18)22(27)29)21(28)20-14(3)25-26(5)23(20)30/h6-11,30H,1-5H3
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Article
PubMed
 161n/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