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BDBM50002341 CHEMBL442384

SMILES: Nc1nc2ccc(cc2s1)C(F)(F)F

InChI Key: InChIKey=WEDYEBJLWMPPOK-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50002341   
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
Epoxide hydratase


(Homo sapiens (Human))
BDBM50002341
PNG
(CHEMBL442384)
Show SMILES Nc1nc2ccc(cc2s1)C(F)(F)F
Show InChI InChI=1S/C8H5F3N2S/c9-8(10,11)4-1-2-5-6(3-4)14-7(12)13-5/h1-3H,(H2,12,13)
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

PDB
Article
PubMed
n/an/a 4.90E+4n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human full-length C-terminal His6-tagged sEH expressed in Escherichia coli BL21(DE3) cells using PHOME as substrate incubated with enzy...


Bioorg Med Chem 22: 2427-34 (2014)


Article DOI: 10.1016/j.bmc.2014.03.001
BindingDB Entry DOI: 10.7270/Q2NV9KRF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)