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BDBM50336821 4-cyano-N-[(1S,2R)-2-phenylcyclopropyl]benzamide::CHEMBL1615212::rac-4-Cyano-N-(trans-2-phenylcyclopropyl)benzamide

SMILES: O=C(N[C@H]1C[C@@H]1c1ccccc1)c1ccc(cc1)C#N

InChI Key: InChIKey=RPFFDFASGIBGIP-REIYMHPCNA-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 = 50336821   
Target
(Institution)
LigandTarget
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))
BDBM50336821
PNG
(4-cyano-N-[(1S,2R)-2-phenylcyclopropyl]benzamide |...)
Show SMILES O=C(N[C@H]1C[C@@H]1c1ccccc1)c1ccc(cc1)C#N |r|
Show InChI InChI=1/C17H14N2O/c18-11-12-6-8-14(9-7-12)17(20)19-16-10-15(16)13-4-2-1-3-5-13/h1-9,15-16H,10H2,(H,19,20)/t15-,16+/s2
PDB

SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
AffyNet 
PDB
Article
PubMed
n/an/a 565n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase in cell free system


J Med Chem 54: 851-7 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)