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BDBM50024731 CHEMBL3342428

SMILES: Cc1nn(C)c(O)c1C(=O)c1ccc2nc(C)n(-c3ccc(C)cc3Br)c(=O)c2c1

InChI Key: InChIKey=JJEUNTYCNBLIET-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50024731   
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))		BDBM50024731
PNG
(CHEMBL3342428)
Show SMILES Cc1nn(C)c(O)c1C(=O)c1ccc2nc(C)n(-c3ccc(C)cc3Br)c(=O)c2c1 |(19.9,-51.81,;18.73,-50.81,;17.23,-51.16,;16.44,-49.84,;14.91,-49.72,;17.44,-48.67,;17.09,-47.18,;18.86,-49.27,;20.18,-48.48,;20.15,-46.94,;21.53,-49.22,;21.56,-50.76,;22.91,-51.51,;24.22,-50.71,;25.58,-51.46,;26.91,-50.65,;28.26,-51.39,;26.87,-49.1,;28.19,-48.3,;29.53,-49.04,;30.85,-48.25,;30.81,-46.71,;32.13,-45.91,;29.45,-45.97,;28.14,-46.77,;26.79,-46.03,;25.51,-48.35,;25.47,-46.81,;24.19,-49.16,;22.84,-48.43,)|
Show InChI InChI=1S/C22H19BrN4O3/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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PC cid
PC sid
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Similars
Article
PubMed
 87n/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