BDBM682022 N-(2-{[(2R)-2-Amino-2-carboxyethyl]sulphanyl}-3-carboxypropanoyl)glycyl-N-[2-({(2S)-2-amino-4-[{(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)-1H-pyrrol-2-yl]-2,2-dimethylpropyl}(glycoloyl)amino]butanoyl}amino)ethyl]-D-alpha-glutamine trifluoroacetic acid salt Regioisomer 2, Epimer Mixture::US12059472, Example M2

SMILES CC(C)(C)[C@@H](N(CC[C@H](N)C(=O)NCCNC(=O)[C@@H](CCC(O)=O)NC(=O)CNC(=O)[C@H](CC(O)=O)SC[C@H](N)C(O)=O)C(=O)CO)c1cc(cn1Cc1ccccc1)-c1cc(F)ccc1F

InChI Key InChIKey=WQVODWNQZHAUPD-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 682022   

TargetKinesin-like protein KIF11(Human)
Bayer Aktiengesellschaft

US Patent
LigandPNGBDBM682022(N-(2-{[(2R)-2-Amino-2-carboxyethyl]sulphanyl}-3-ca...)
Affinity DataIC50: 0.467nMAssay Description:The motor domain of the human kinesin spindle protein KSP/Eg5 (tebu-bio/Cytoskeleton Inc, No. 027EG01-XL) was incubated in a concentration of 10 nM w...More data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
12/2/2024
Entry Details
US Patent