BDBM15821 1:1 mixture of diastereomers::2-[(4-{2-acetamido-2-[(4-{[(2S)-1-methoxy-4-(methylsulfanyl)-1-oxobutan-2-yl]carbamoyl}butyl)carbamoyl]ethyl}-2-ethylphenyl)amidoformic acid]benzoic acid::oxalyl-aryl-amino benzoic acid-based inhibitor 21

SMILES CCc1cc(CC(NC(C)=O)C(=O)NCCCCC(=O)N[C@@H](CCSC)C(=O)OC)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O

InChI Key InChIKey=UMSOBSQPENLMAP-SKCDSABHSA-N

Data  2 KI

  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 2 hits for monomerid = 15821   

TargetTyrosine-protein phosphatase non-receptor type 1 [1-298](Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM15821(1:1 mixture of diastereomers | 2-[(4-{2-acetamido-...)
Affinity DataKi:  540nM ΔG°:  -8.46kcal/molepH: 7.5 T: 2°CAssay Description:The phosphatase activity resulted in the formation of the colored product p-nitrophenol, which was continuously monitored at 405 nm every 30 s for 15...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein phosphatase non-receptor type 2(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM15821(1:1 mixture of diastereomers | 2-[(4-{2-acetamido-...)
Affinity DataKi:  670nMAssay Description:The phosphatase activity resulted in the formation of the colored product p-nitrophenol, which was continuously monitored at 405 nm every 30 s for 15...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed