Ki Summary

Reaction Details

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Target

Monoglyceride lipase

Ligand

BDBM581612

Substrate/Competitor

n/a

Meas. Tech.

Biological Assay

IC50

0.400±n/a nM

Citation

Alcazar, J; Ameriks, MK; Berry, CB; Garcia-Reynaga, P; Samant, AV; Vega-Ramiro, JA Azaspirocycles as monoacylglycerol lipase modulators US Patent US11505546 Publication Date 11/22/2022

More Info.:

Get all data from this article, Assay Method

Monoglyceride lipase

Name:

Monoglyceride lipase

Synonyms:

Type:

Hydrolase

Mol. Mass.:

33264.56

Organism:

Homo sapiens (Human)

Description:

Human recombinant MGL (Cayman Chemical, cat# 10008354).

Residue:

303

Sequence:

MPEESSPRRTPQSIPYQDLPHLVNADGQYLFCRYWKPTGTPKALIFVSHGAGEHSGRYEE
LARMLMGLDLLVFAHDHVGHGQSEGERMVVSDFHVFVRDVLQHVDSMQKDYPGLPVFLLG
HSMGGAIAILTAAERPGHFAGMVLISPLVLANPESATTFKVLAAKVLNLVLPNLSLGPID
SSVLSRNKTEVDIYNSDPLICRAGLKVCFGIQLLNAVSRVERALPKLTVPFLLLQGSADR
LCDSKGAYLLMELAKSQDKTLKIYEGAYHVLHKELPEVTNSVFHEINMWVSQRTATAGTA
SPP

BDBM581612

n/a

Name

BDBM581612

Synonyms:

(2r,4s)-2-(2-(5-(tert-Butyl)-2-methoxyphenyl)-7-azaspiro[3.5]nonane-7-carbonyl)- 5-azaspiro[3.4]octan-6-one | US11505546, Example 27

Type

Small organic molecule

Emp. Form.

C26H36N2O4

Mol. Mass.

440.575

SMILES

COc1ccc(cc1C1CC2(C1)CCN(CC2)C(=O)[C@H]1C[C@@]2(C1)COC(=O)N2)C(C)(C)C |r,wU:19.21,wD:21.24,(1.87,-3.24,;3.21,-4.01,;4.54,-3.24,;5.88,-4.01,;7.21,-3.24,;7.21,-1.7,;5.88,-.93,;4.54,-1.7,;3.21,-.93,;1.72,-1.33,;1.32,.16,;2.81,.56,;-.01,-.61,;-1.35,.16,;-1.35,1.7,;-.01,2.47,;1.32,1.7,;-2.68,2.47,;-2.68,4.01,;-4.01,1.7,;-4.41,.21,;-5.9,.61,;-5.5,2.1,;-6.06,-.92,;-7.57,-1.24,;-8.34,.09,;-9.88,.09,;-7.31,1.24,;8.54,-.93,;9.88,-.16,;8.54,.61,;9.88,-1.7,)|

Structure