Reaction Details Report a problem with these data
Target
Fatty-acid amide hydrolase 1
Ligand
BDBM50454624
Substrate
n/a
Meas. Tech.
ChEMBL_1752866 (CHEMBL4187626)
IC50
30±n/a nM
Citation
 Kodani, SD; Bhakta, S; Hwang, SH; Pakhomova, S; Newcomer, ME; Morisseau, C; Hammock, BD Identification and optimization of soluble epoxide hydrolase inhibitors with dual potency towards fatty acid amide hydrolase. Bioorg Med Chem Lett 28:762-768 (2018) [PubMed]  Article 
Target
Name:
Fatty-acid amide hydrolase 1
Synonyms:
Anandamide amidohydrolase | Anandamide amidohydrolase 1 | FAAH | FAAH1 | FAAH1_HUMAN | Fatty Acid Amide Hydrolase (FAAH) | Fatty-acid amide hydrolase (FAAH) | Fatty-acid amide hydrolase 1 | Oleamide hydrolase 1
Type:
Protein
Mol. Mass.:
63071.19
Organism:
Homo sapiens (Human)
Description:
O00519
Residue:
579
Sequence:
MVQYELWAALPGASGVALACCFVAAAVALRWSGRRTARGAVVRARQRQRAGLENMDRAAQRFRLQNPDLDSEALLALPLPQLVQKLHSRELAPEAVLFTYVGKAWEVNKGTNCVTSYLADCETQLSQAPRQGLLYGVPVSLKECFTYKGQDSTLGLSLNEGVPAECDSVVVHVLKLQGAVPFVHTNVPQSMFSYDCSNPLFGQTVNPWKSSKSPGGSSGGEGALIGSGGSPLGLGTDIGGSIRFPSSFCGICGLKPTGNRLSKSGLKGCVYGQEAVRLSVGPMARDVESLALCLRALLCEDMFRLDPTVPPLPFREEVYTSSQPLRVGYYETDNYTMPSPAMRRAVLETKQSLEAAGHTLVPFLPSNIPHALETLSTGGLFSDGGHTFLQNFKGDFVDPCLGDLVSILKLPQWLKGLLAFLVKPLLPRLSAFLSNMKSRSAGKLWELQHEIEVYRKTVIAQWRALDLDVVLTPMLAPALDLNAPGRATGAVSYTMLYNCLDFPAGVVPVTTVTAEDEAQMEHYRGYFGDIWDKMLQKGMKKSVGLPVAVQCVALPWQEELCLRFMREVERLMTPEKQSS
  
Inhibitor
Name:
BDBM50454624
Synonyms:
CHEMBL4209593
Type:
Small organic molecule
Emp. Form.:
C24H26F3N3O6
Mol. Mass.:
509.4749
SMILES:
COC(=O)CNC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:13.12,wD:16.19,(29.69,-8.45,;28.35,-9.22,;27.02,-8.45,;27.02,-6.91,;25.68,-9.22,;24.35,-8.45,;23.02,-9.22,;23.02,-10.76,;21.68,-8.45,;20.35,-9.21,;19.02,-8.44,;19.03,-6.9,;17.69,-6.13,;16.36,-6.9,;16.35,-8.44,;15.02,-9.2,;13.7,-8.43,;13.68,-6.89,;15.02,-6.12,;12.36,-9.2,;11.03,-8.43,;11.03,-6.89,;9.7,-9.2,;8.36,-8.43,;7.02,-9.21,;5.69,-8.44,;5.69,-6.89,;4.36,-6.12,;4.36,-4.58,;4.36,-3.18,;5.6,-3.56,;3.11,-3.56,;7.02,-6.12,;8.36,-6.88,;20.35,-6.13,;21.68,-6.9,)|
Structure:
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