BDBM66874 MLS001229763::N-(5-Cyclohexylcarbamoylmethylsulfanyl-[1,3,4]thiadiazol-2-yl)-3,3-dimethyl-butyramide::N-[5-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3,3-dimethyl-butanamide::N-[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3,3-dimethylbutanamide::N-[5-[[2-(cyclohexylamino)-2-keto-ethyl]thio]-1,3,4-thiadiazol-2-yl]-3,3-dimethyl-butyramide::N-[5-[[2-(cyclohexylamino)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-3,3-dimethylbutanamide::SMR000601748::cid_1470458

SMILES C#CC[C@H](NC(=O)[C@@H](CCCCN)[C@]1(C(N)=O)CCCN1C(=O)Cc1cccc2ccccc12)C(N)=O

InChI Key InChIKey=YGUISVNYHSQCTL-UHFFFAOYSA-N

Data  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 66874   

TargetN-terminal Xaa-Pro-Lys N-methyltransferase 1(Human)
Purdue Research Foundation

US Patent
LigandChemical structure of BindingDB Monomer ID 66874BDBM66874((S)-((S)-6-amino-1-(((S)-1-amino-1-oxopent-4-yn-2-...)
Affinity DataIC50: 670nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/6/2026
Entry Details
US Patent