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BDBM50058058 5-Ethyl-2-mercapto-5-(1-methyl-butyl)-1H-pyrimidine-4,6-dione::5-Ethyl-5-(1-methyl-butyl)-2-thioxo-dihydro-pyrimidine-4,6-dione::5-ethyl-5-(pentan-2-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione::CHEMBL441::THIOPENTAL

SMILES: CCCC(C)C1(CC)C(=O)NC(=S)NC1=O

InChI Key: InChIKey=IUJDSEJGGMCXSG-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 2 PDB IDs match 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 = 50058058   
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
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50058058
PNG
(5-Ethyl-2-mercapto-5-(1-methyl-butyl)-1H-pyrimidin...)
Show SMILES CCCC(C)C1(CC)C(=O)NC(=S)NC1=O
Show InChI InChI=1S/C11H18N2O2S/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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DrugBank
GoogleScholar
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CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.00E+6n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH


J Med Chem 51: 7327-43 (2009)


Article DOI: 10.1021/jm800311k
BindingDB Entry DOI: 10.7270/Q2J67HT8
More data for this
Ligand-Target Pair