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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.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50359942   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Protoporphyrinogen oxidase, mitochondrial


(Nicotiana tabacum)
BDBM50359942
PNG
(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

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CHEBI
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
70n/an/an/an/an/an/an/an/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
PNG
(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
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CHEBI
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
1.71E+3n/an/an/an/an/an/an/an/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
3D Structure (crystal)