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BDBM50278163 CHEMBL469792::N-cycloheptyl-1-(mesitylsulfonyl)piperidine-4-carboxamide

SMILES: Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCCCC1

InChI Key: InChIKey=GTZJATJFRQCZIY-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 = 50278163   
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))
BDBM50278163
PNG
(CHEMBL469792 | N-cycloheptyl-1-(mesitylsulfonyl)pi...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N1CCC(CC1)C(=O)NC1CCCCCC1
Show InChI InChI=1S/C22H34N2O3S/c1-16-14-17(2)21(18(3)15-16)28(26,27)24-12-10-19(11-13-24)22(25)23-20-8-6-4-5-7-9-20/h14-15,19-20H,4-13H2,1-3H3,(H,23,25)
PDB

SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
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CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
PDB
Article
PubMed
n/an/a 7.90n/an/an/an/an/an/a



Columbia University

Curated by ChEMBL


Assay Description
Inhibition of epoxide hydrolase (unknown origin)


Bioorg Med Chem Lett 19: 2354-9 (2009)

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