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BDBM50024746 CHEMBL3342413

SMILES: Cc1nn(C)c(O)c1C(=O)c1ccc2nc(C)n(-c3ccccc3C)c(=O)c2c1

InChI Key: InChIKey=ORLLIQRQKYUIIN-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50024746   
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))		BDBM50024746
PNG
(CHEMBL3342413)
Show SMILES Cc1nn(C)c(O)c1C(=O)c1ccc2nc(C)n(-c3ccccc3C)c(=O)c2c1 |(24.94,-6.21,;23.77,-5.21,;22.27,-5.56,;21.48,-4.24,;19.95,-4.11,;22.48,-3.07,;22.13,-1.57,;23.9,-3.67,;25.22,-2.87,;25.19,-1.33,;26.57,-3.62,;26.6,-5.16,;27.95,-5.9,;29.26,-5.11,;30.62,-5.85,;31.95,-5.05,;33.3,-5.79,;31.91,-3.5,;33.23,-2.7,;33.18,-1.17,;34.49,-.36,;35.85,-1.1,;35.89,-2.65,;34.57,-3.44,;34.6,-4.98,;30.55,-2.75,;30.51,-1.21,;29.23,-3.56,;27.88,-2.82,)|
Show InChI InChI=1S/C22H20N4O3/c1-12-7-5-6-8-18(12)26-14(3)23-17-10-9-15(11-16(17)21(26)28)20(27)19-13(2)24-25(4)22(19)29/h5-11,29H,1-4H3
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KEGG

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PC cid
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Similars
Article
PubMed
 248n/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