Ki Summary

Reaction Details

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Target

Arylacetamide deacetylase

Ligand

BDBM50454599

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1752877 (CHEMBL4187637)

IC50

5400±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 Lett28:762-768 (2018) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Arylacetamide deacetylase

Name:

Arylacetamide deacetylase

Synonyms:

AAAD_HUMAN | AADAC | Arylacetamide deacetylase | DAC

Type:

PROTEIN

Mol. Mass.:

45743.18

Organism:

Homo sapiens (Human)

Description:

ChEMBL_109673

Residue:

399

Sequence:

MGRKSLYLLIVGILIAYYIYTPLPDNVEEPWRMMWINAHLKTIQNLATFVELLGLHHFMD
SFKVVGSFDEVPPTSDENVTVTETKFNNILVRVYVPKRKSEALRRGLFYIHGGGWCVGSA
ALSGYDLLSRWTADRLDAVVVSTNYRLAPKYHFPIQFEDVYNALRWFLRKKVLAKYGVNP
ERIGISGDSAGGNLAAAVTQQLLDDPDVKIKLKIQSLIYPALQPLDVDLPSYQENSNFLF
LSKSLMVRFWSEYFTTDRSLEKAMLSRQHVPVESSHLFKFVNWSSLLPERFIKGHVYNNP
NYGSSELAKKYPGFLDVRAAPLLADDNKLRGLPLTYVITCQYDLLRDDGLMYVTRLRNTG
VQVTHNHVEDGFHGAFSFLGLKISHRLINQYIEWLKENL

BDBM50454599

n/a

Name

BDBM50454599

Synonyms:

CHEMBL4216368

Type

Small organic molecule

Emp. Form.

C20H21F3N2O4

Mol. Mass.

410.3869

SMILES

Oc1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 |r,wU:6.5,wD:9.12,(74.54,-31.49,;73.21,-30.71,;71.87,-31.48,;70.54,-30.71,;70.55,-29.17,;69.22,-28.4,;67.88,-29.16,;67.88,-30.7,;66.55,-31.47,;65.22,-30.69,;65.21,-29.16,;66.55,-28.39,;63.89,-31.47,;62.55,-30.7,;62.55,-29.16,;61.22,-31.47,;59.89,-30.7,;58.55,-31.47,;57.22,-30.7,;57.22,-29.16,;55.88,-28.39,;55.88,-26.85,;55.88,-25.45,;57.13,-25.83,;54.63,-25.83,;58.55,-28.39,;59.88,-29.15,;71.88,-28.4,;73.21,-29.17,)|

Structure