Reaction Details Report a problem with these data
Target
Neutral cholesterol ester hydrolase 1
Ligand
BDBM50204512
Substrate
n/a
Meas. Tech.
ChEMBL_557654 (CHEMBL961604)
IC50
>100000±n/a nM
Citation
 DeMartino, JK; Garfunkle, J; Hochstatter, DG; Cravatt, BF; Boger, DL Exploration of a fundamental substituent effect of alpha-ketoheterocycle enzyme inhibitors: Potent and selective inhibitors of fatty acid amide hydrolase. Bioorg Med Chem Lett 18:5842-6 (2008) [PubMed]  Article 
Target
Name:
Neutral cholesterol ester hydrolase 1
Synonyms:
AADACL1 | KIAA1363 | NCEH1 | NCEH1_HUMAN
Type:
PROTEIN
Mol. Mass.:
45810.81
Organism:
Homo sapiens (Human)
Description:
ChEMBL_835312
Residue:
408
Sequence:
MRSSCVLLTALVALAAYYVYIPLPGSVSDPWKLMLLDATFRGAQQVSNLIHYLGLSHHLLALNFIIVSFGKKSAWSSAQVKVTDTDFDGVEVRVFEGPPKPEEPLKRSVVYIHGGGWALASAKIRYYDELCTAMAEELNAVIVSIEYRLVPKVYFPEQIHDVVRATKYFLKPEVLQKYMVDPGRICISGDSAGGNLAAALGQQFTQDASLKNKLKLQALIYPVLQALDFNTPSYQQNVNTPILPRYVMVKYWVDYFKGNYDFVQAMIVNNHTSLDVEEAAAVRARLNWTSLLPASFTKNYKPVVQTTGNARIVQELPQLLDARSAPLIADQAVLQLLPKTYILTCEHDVLRDDGIMYAKRLESAGVEVTLDHFEDGFHGCMIFTSWPTNFSVGIRTRNSYIKWLDQNL
  
Inhibitor
Name:
BDBM50204512
Synonyms:
2-(7-phenylheptanoyl)oxazole-5-carbonitrile | CHEMBL220770
Type:
Small organic molecule
Emp. Form.:
C17H18N2O2
Mol. Mass.:
282.337
SMILES:
O=C(CCCCCCc1ccccc1)c1ncc(o1)C#N
Structure:
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