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BDBM50446781 CHEMBL3114611

SMILES: O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC(CC1)Oc1ccccc1

InChI Key: InChIKey=SAKQSHLUPVUJDT-UXHICEINSA-N

Data: 2 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 2 hits for monomerid = 50446781   
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))
BDBM50446781
PNG
(CHEMBL3114611)
Show SMILES O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC(CC1)Oc1ccccc1
Show InChI InChI=1S/C21H24N2O2/c24-21(22-20-15-19(20)16-7-3-1-4-8-16)23-13-11-18(12-14-23)25-17-9-5-2-6-10-17/h1-10,18-20H,11-15H2,(H,22,24)/t19-,20+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase after 1 hr by fluorescence assay


Bioorg Med Chem 22: 1548-57 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epoxide hydrolase 2


(Rattus norvegicus)
BDBM50446781
PNG
(CHEMBL3114611)
Show SMILES O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC(CC1)Oc1ccccc1
Show InChI InChI=1S/C21H24N2O2/c24-21(22-20-15-19(20)16-7-3-1-4-8-16)23-13-11-18(12-14-23)25-17-9-5-2-6-10-17/h1-10,18-20H,11-15H2,(H,22,24)/t19-,20+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant soluble epoxide hydrolase after 1 hr by fluorescence assay


Bioorg Med Chem 22: 1548-57 (2014)

More data for this
Ligand-Target Pair