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PDB code 5ALZ

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Epoxide hydratase

  (548/548 = 100%)
(Homo sapiens (Human))
BDBM50335966
PNG
(1-Adamantan-1-yl-3-(1-methanesulfonyl-piperidin-4-...)
Show SMILES CS(=O)(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C17H29N3O3S/c1-24(22,23)20-4-2-15(3-5-20)18-16(21)19-17-9-12-6-13(10-17)8-14(7-12)11-17/h12-15H,2-11H2,1H3,(H2,18,19,21)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 1.90n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human soluble epoxide hydrolase


Bioorg Med Chem Lett 21: 983-8 (2011)

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

  (548/548 = 100%)
(Homo sapiens (Human))
BDBM50335966
PNG
(1-Adamantan-1-yl-3-(1-methanesulfonyl-piperidin-4-...)
Show SMILES CS(=O)(=O)N1CCC(CC1)NC(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C17H29N3O3S/c1-24(22,23)20-4-2-15(3-5-20)18-16(21)19-17-9-12-6-13(10-17)8-14(7-12)11-17/h12-15H,2-11H2,1H3,(H2,18,19,21)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 3.90n/an/an/an/an/an/a



Ar£te Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of soluble epoxide hydrolase in HUVEC assessed inhibition of as conversion of 14, 15-EET to 14, 15-DHET


Bioorg Med Chem Lett 21: 983-8 (2011)

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

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output