BindingDB logo
myBDB logout

BDBM50024750 CHEMBL3343185

SMILES: Cc1ccc(c(F)c1)-n1c(C)nc2ccc(cc2c1=O)C(=O)c1cnn(C)c1O

InChI Key: InChIKey=LDGUFDLVLDMLIW-UHFFFAOYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50024750   
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))		BDBM50024750
PNG
(CHEMBL3343185)
Show SMILES Cc1ccc(c(F)c1)-n1c(C)nc2ccc(cc2c1=O)C(=O)c1cnn(C)c1O |(40.08,-48.16,;38.76,-48.96,;38.79,-50.5,;37.48,-51.3,;36.14,-50.56,;36.09,-49.02,;34.74,-48.29,;37.4,-48.22,;34.82,-51.36,;34.85,-52.91,;36.2,-53.65,;33.53,-53.71,;32.17,-52.97,;30.85,-53.76,;29.51,-53.02,;29.48,-51.47,;30.79,-50.68,;32.14,-51.42,;33.46,-50.61,;33.42,-49.07,;28.13,-50.73,;28.1,-49.19,;26.81,-51.53,;26.68,-53.06,;25.18,-53.42,;24.39,-52.1,;22.85,-51.97,;25.39,-50.93,;25.03,-49.43,)|
Show InChI InChI=1S/C21H17FN4O3/c1-11-4-7-18(16(22)8-11)26-12(2)24-17-6-5-13(9-14(17)21(26)29)19(27)15-10-23-25(3)20(15)28/h4-10,28H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 170n/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