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Inhibitor Report for: ZINC24092691

ZINC24092691 with an IC50 value of 10 nM.


General
Type Pyrrolidine, Benzothiazol, Sulfur Compound, Triazol
Chemical_Nomenclature N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-(benzotriazol-1-yl)acetamide
Canonical SMILES C1=CC=C2C(=C1)N=NN2CC(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5S4
InChI InChI=1S/C21H15N5OS/c27-20(13-26-18-7-3-1-5-16(18)24-25-26)22-15-11-9-14(10-12-15)21-23-17-6-2-4-8-19(17)28-21/h1-12H,13H2,(H,22,27)
InChIKey BBSLAQYFSFJLDI-UHFFFAOYSA-N
Other name(s) CHEMBL3318318 ; 1014580-58-5 ; BDBM50049456 ; MFCD10209041 ; NSC780558
________________________________________________________________________________________________
MW|385.4
Formula|C21H15N5OS
CAS_number|
PubChem|24458062
UniChem|BBSLAQYFSFJLDI-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | ZINC24092691 ligand of proteins in family: Monoglyceridelipase_lysophospholip
Protein | human-MGLL

References:
Search PubMed for references concerning: ZINC24092691
    Title: Docking based virtual screening and molecular dynamics study to identify potential monoacylglycerol lipase inhibitors
    Afzal O, Kumar S, Kumar R, Firoz A, Jaggi M, Bawa S
    Ref: Bioorganic & Medicinal Chemistry Lett, 24:3986, 2014 : PubMed