BDBM50131545 (S)-2-(N-(4-(2-(allyloxycarbonylamino)-3-(4-(3-hydroxy-2-(methoxycarbonyl)phenoxy)butylamino)-3-oxopropyl)phenyl)-1-carboxyformamido)benzoic acid::2-[4-(2-Allyloxycarbonylamino-3-{4-[(2-carboxy-phenyl)-oxalyl-amino]-phenyl}-propionylamino)-butoxy]-6-hydroxy-benzoic acid methyl ester::2-{4-[2-(S)-ALLYLOXYCARBONYLAMINO-3-{4-[(2-CARBOXY-PHENYL)-OXALYL-AMINO]-PHENYL}-PROPIONYLAMINO]-BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER::CHEMBL325029

SMILES COC(=O)c1c(O)cccc1OCCCCNC(=O)[C@H](Cc1ccc(cc1)N(C(=O)C(O)=O)c1ccccc1C(O)=O)NC(=O)OCC=C

InChI Key InChIKey=JTJBRKLISQICDU-DEOSSOPVSA-N

Data  11 KI

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50131545   

LigandPNGBDBM50131545((S)-2-(N-(4-(2-(allyloxycarbonylamino)-3-(4-(3-hyd...)
Affinity DataKi:  120nMAssay Description:Inhibition of PTP1B (unknown origin)More data for this Ligand-Target Pair
LigandPNGBDBM50131545((S)-2-(N-(4-(2-(allyloxycarbonylamino)-3-(4-(3-hyd...)
Affinity DataKi:  120nMAssay Description:Inhibitory activity against Protein-tyrosine phosphatase 1B (PTP 1B) was determinedMore data for this Ligand-Target Pair
LigandPNGBDBM50131545((S)-2-(N-(4-(2-(allyloxycarbonylamino)-3-(4-(3-hyd...)
Affinity DataKi:  120nMAssay Description:Inhibition of PTP1B (unknown origin)More data for this Ligand-Target Pair
LigandPNGBDBM50131545((S)-2-(N-(4-(2-(allyloxycarbonylamino)-3-(4-(3-hyd...)
Affinity DataKi:  120nMAssay Description:Inhibition of human PTP1B (1 to 288 residues) expressed in Escherichia coli BL21 (DE3) cells using p-nitrophenyl phosphate as substrate monitered eve...More data for this Ligand-Target Pair
LigandPNGBDBM50131545((S)-2-(N-(4-(2-(allyloxycarbonylamino)-3-(4-(3-hyd...)
Affinity DataKi:  126nMAssay Description:Inhibition of PTP1BMore data for this Ligand-Target Pair