BDBM50359942 ACIFLUORFEN

SMILES: OC(=O)c1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+]([O-])=O

InChI Key: InChIKey=NUFNQYOELLVIPL-UHFFFAOYSA-N

Data: 2 KI

PDB links: 5 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50359942   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Protoporphyrinogen oxidase, mitochondrial (Nicotiana tabacum)	BDBM50359942 (ACIFLUORFEN) Show SMILES OC(=O)c1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+]([O-])=O Show InChI InChI=1S/C14H7ClF3NO5/c15-10-5-7(14(16,17)18)1-4-12(10)24-8-2-3-11(19(22)23)9(6-8)13(20)21/h1-6H,(H,20,21)	PDB MMDB UniProtKB/SwissProt GoogleScholar	Purchase CHEBI DrugBank MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	70	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 Nicotiana tobacum PPO				Bioorg Med Chem 20: 296-304 (2011) Article DOI: 10.1016/j.bmc.2011.10.079 BindingDB Entry DOI: 10.7270/Q2FJ2H6T
					More data for this Ligand-Target Pair
Protoporphyrinogen oxidase (Homo sapiens (Human))	BDBM50359942 (ACIFLUORFEN) Show SMILES OC(=O)c1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+]([O-])=O Show InChI InChI=1S/C14H7ClF3NO5/c15-10-5-7(14(16,17)18)1-4-12(10)24-8-2-3-11(19(22)23)9(6-8)13(20)21/h1-6H,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase CHEBI DrugBank MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	1.71E+3	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 human PPO expressed in Escherichia coli BL21(DE3) by continuous fluorometric method				Bioorg Med Chem 20: 296-304 (2011) Article DOI: 10.1016/j.bmc.2011.10.079 BindingDB Entry DOI: 10.7270/Q2FJ2H6T
					More data for this Ligand-Target Pair				3D Structure (crystal)