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BDBM50100518 CHEMBL3327064

SMILES: CC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=KKMHGEIPUCNGMV-UHFFFAOYSA-N

Data: 1 KI  3 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 4 hits for monomerid = 50100518   
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))
BDBM50100518
PNG
(CHEMBL3327064)
Show SMILES CC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H22F3N3O2/c1-11(2)15(24)23-9-7-14(8-10-23)22-16(25)21-13-5-3-12(4-6-13)17(18,19)20/h3-6,11,14H,7-10H2,1-2H3,(H2,21,22,25)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
0.660n/an/an/an/an/an/an/an/a



Department of Entomology and Nematology, UCD Comprehensive Cancer Center, University of California Davis , One Shields Avenue, Davis, California 95616, United States.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble epoxide hydrolase by FRET-based ACPU displacement assay


J Med Chem 57: 7016-30 (2014)

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


(Rattus norvegicus)
BDBM50100518
PNG
(CHEMBL3327064)
Show SMILES CC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H22F3N3O2/c1-11(2)15(24)23-9-7-14(8-10-23)22-16(25)21-13-5-3-12(4-6-13)17(18,19)20/h3-6,11,14H,7-10H2,1-2H3,(H2,21,22,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Department of Entomology and Nematology, UCD Comprehensive Cancer Center, University of California Davis , One Shields Avenue, Davis, California 95616, United States.

Curated by ChEMBL


Assay Description
Inhibition of rat soluble epoxide hydrolase using [3H]-t-DPPO as a substrate by radiometric assay


J Med Chem 57: 7016-30 (2014)

More data for this
Ligand-Target Pair
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
BDBM50100518
PNG
(CHEMBL3327064)
Show SMILES CC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H22F3N3O2/c1-11(2)15(24)23-9-7-14(8-10-23)22-16(25)21-13-5-3-12(4-6-13)17(18,19)20/h3-6,11,14H,7-10H2,1-2H3,(H2,21,22,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

US Patent
n/an/a 5.5n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
fluoresence competitive assay.


Citation and Details
More data for this
Ligand-Target Pair
Soluble epoxide hydrolase (sEH)


(Mus musculus (Mouse))
BDBM50100518
PNG
(CHEMBL3327064)
Show SMILES CC(C)C(=O)N1CCC(CC1)NC(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C17H22F3N3O2/c1-11(2)15(24)23-9-7-14(8-10-23)22-16(25)21-13-5-3-12(4-6-13)17(18,19)20/h3-6,11,14H,7-10H2,1-2H3,(H2,21,22,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

US Patent
n/an/a 37.5n/an/an/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Trans-diphenylpropene oxide is used in a radiometric competitive assay.


Citation and Details
More data for this
Ligand-Target Pair