Reaction Details Report a problem with these data
Target
Fatty-acid amide hydrolase 1
Ligand
BDBM50454625
Substrate
n/a
Meas. Tech.
ChEMBL_1752866 (CHEMBL4187626)
IC50
70±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:
BDBM50454625
Synonyms:
CHEMBL4207039
Type:
Small organic molecule
Emp. Form.:
C21H22F3N3O4
Mol. Mass.:
437.4123
SMILES:
NC(=O)c1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:8.7,wD:11.14,(24.95,-19.24,;23.62,-20.01,;23.61,-21.55,;22.28,-19.24,;20.95,-20.01,;19.62,-19.24,;19.62,-17.7,;18.29,-16.93,;16.96,-17.69,;16.95,-19.23,;15.62,-20,;14.29,-19.22,;14.28,-17.69,;15.62,-16.92,;12.96,-19.99,;11.63,-19.23,;11.62,-17.69,;10.29,-20,;8.96,-19.23,;7.62,-20,;6.29,-19.23,;6.29,-17.69,;4.96,-16.92,;4.96,-15.38,;4.95,-13.98,;6.2,-14.36,;3.71,-14.36,;7.62,-16.92,;8.95,-17.68,;20.95,-16.93,;22.28,-17.69,)|
Structure:
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