BDBM50088804 1,3-Cyclohexanedione, 2-(2-nitro-4-(trifluoromethyl)benzoyl)-::2-(alpha,alpha,alpha-Trifluoro-2-nitro-p-tuluoyl)-1,3-cyclohexanedione::2-[2-nitro-4-(trifluoromethyl)benzoyl]cyclohexane-1,3-dione::CHEMBL1337::NITISINONE

SMILES: [O-][N+](=O)c1cc(ccc1C(=O)C1C(=O)CCCC1=O)C(F)(F)F

InChI Key: InChIKey=OUBCNLGXQFSTLU-UHFFFAOYSA-N

Data: 1 KI  3 IC50

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 4 hits for monomerid = 50088804   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
4-hydroxyphenylpyruvate dioxygenase (Homo sapiens (Human))	BDBM50088804 (1,3-Cyclohexanedione, 2-(2-nitro-4-(trifluoromethy...) Show SMILES [O-][N+](=O)c1cc(ccc1C(=O)C1C(=O)CCCC1=O)C(F)(F)F Show InChI InChI=1S/C14H10F3NO5/c15-14(16,17)7-4-5-8(9(6-7)18(22)23)13(21)12-10(19)2-1-3-11(12)20/h4-6,12H,1-3H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
4-hydroxyphenylpyruvate dioxygenase (Rattus norvegicus)	BDBM50088804 (1,3-Cyclohexanedione, 2-(2-nitro-4-(trifluoromethy...) Show SMILES [O-][N+](=O)c1cc(ccc1C(=O)C1C(=O)CCCC1=O)C(F)(F)F Show InChI InChI=1S/C14H10F3NO5/c15-14(16,17)7-4-5-8(9(6-7)18(22)23)13(21)12-10(19)2-1-3-11(12)20/h4-6,12H,1-3H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Wistar rat liver cytosol HPPD using HPP as substrate assessed as reduction in O2 consumption				J Med Chem 60: 4101-4125 (2017) Article DOI: 10.1021/acs.jmedchem.6b01395 BindingDB Entry DOI: 10.7270/Q2FN18ND
					More data for this Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase (Rattus norvegicus)	BDBM50088804 (1,3-Cyclohexanedione, 2-(2-nitro-4-(trifluoromethy...) Show SMILES [O-][N+](=O)c1cc(ccc1C(=O)C1C(=O)CCCC1=O)C(F)(F)F Show InChI InChI=1S/C14H10F3NO5/c15-14(16,17)7-4-5-8(9(6-7)18(22)23)13(21)12-10(19)2-1-3-11(12)20/h4-6,12H,1-3H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of Wistar rat liver HPPD using 4-Hydroxyphenylpyruvate as substrate assessed as reduction in oxygen consumption preincubated for 3 mins fo...				J Med Chem 60: 4101-4125 (2017) Article DOI: 10.1021/acs.jmedchem.6b01395 BindingDB Entry DOI: 10.7270/Q2FN18ND
					More data for this Ligand-Target Pair
4-hydroxyphenylpyruvate dioxygenase (Sus scrofa)	BDBM50088804 (1,3-Cyclohexanedione, 2-(2-nitro-4-(trifluoromethy...) Show SMILES [O-][N+](=O)c1cc(ccc1C(=O)C1C(=O)CCCC1=O)C(F)(F)F Show InChI InChI=1S/C14H10F3NO5/c15-14(16,17)7-4-5-8(9(6-7)18(22)23)13(21)12-10(19)2-1-3-11(12)20/h4-6,12H,1-3H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Tunghai Christian University Curated by ChEMBL					Assay Description Inhibition of 4-hydroxyphenylpyruvate dioxygenase of purified pig liver by enol-borate method				Bioorg Med Chem Lett 10: 843-5 (2000) BindingDB Entry DOI: 10.7270/Q2S75FK2
					More data for this Ligand-Target Pair