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Target
Liver carboxylesterase 1
Ligand
BDBM50063239
Substrate
n/a
Meas. Tech.
ChEMBL_28653 (CHEMBL643832)
IC50
10±n/a nM
Citation
 Sliskovic, DR; Picard, JA; O'Brien, PM; Liao, P; Roark, WH; Roth, BD; Anderson, MA; Mueller, SB; Bocan, TM; Bousley, RF; Hamelehle, KL; Homan, R; Reindel, JF; Stanfield, RL; Turluck, D; Krause, BR alpha-Substituted malonester amides: tools to define the relationship between ACAT inhibition and adrenal toxicity. J Med Chem 41:682-90 (1998) [PubMed]  Article 
Target
Name:
Liver carboxylesterase 1
Synonyms:
Carboxylesterase 1 | EST1_RABIT | liver carboxylesterase 1 | rCE
Type:
Enzyme
Mol. Mass.:
62292
Organism:
Oryctolagus cuniculus (rabbit)
Description:
n/a
Residue:
565
Sequence:
MWLCALALASLAACTAWGHPSAPPVVDTVHGKVLGKFVSLEGFAQPVAVFLGVPFAKPPLGSLRFAPPQPAESWSHVKNTTSYPPMCSQDAVSGHMLSELFTNRKENIPLKFSEDCLYLNIYTPADLTKRGRLPVMVWIHGGGLMVGGASTYDGLALSAHENVVVVTIQYRLGIWGFFSTGDEHSRGNWGHLDQVAALRWVQDNIANFGGDPGSVTIFGESAGGQSVSILLLSPLTKNLFHRAISESGVALLSSLFRKNTKSLAEKIAIEAGCKTTTSAVMVHCLRQKTEEELMEVTLKMKFMALDLVGDPKENTAFLTTVIDGVLLPKAPAEILAEKKYNMLPYMVGINQQEFGWIIPMQMLGYPLSEGKLDQKTATELLWKSYPIVNVSKELTPVATEKYLGGTDDPVKKKDLFLDMLADLLFGVPSVNVARHHRDAGAPTYMYEYRYRPSFSSDMRPKTVIGDHGDEIFSVLGAPFLKEGATEEEIKLSKMVMKYWANFARNGNPNGEGLPQWPAYDYKEGYLQIGATTQAAQKLKDKEVAFWTELWAKEAARPRETEHIEL
  
Inhibitor
Name:
BDBM50063239
Synonyms:
CHEMBL161638 | N-(2,6-Diisopropyl-phenyl)-2-phenyl-malonamic acid dodecyl ester
Type:
Small organic molecule
Emp. Form.:
C33H49NO3
Mol. Mass.:
507.7471
SMILES:
CCCCCCCCCCCCOC(=O)C(C(=O)Nc1c(cccc1C(C)C)C(C)C)c1ccccc1
Structure:
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