BDBM13954 3-({5-[(2S)-3-{4-[(2-carboxyphenyl)amidoformic acid]naphthalen-1-yl}-2-acetamidopropanamido]pentyl}oxy)naphthalene-2-carboxylic acid::3-({5-[(N-Acetyl-3-{4-[(carboxycarbonyl)(2-carboxyphenyl)amino]-1-naphthyl}-L-alanyl)amino]pentyl}oxy)-2-naphthoic Acid::linked-fragment derived compound 23

SMILES CC(=O)N[C@@H](Cc1ccc(N(C(=O)C(O)=O)c2ccccc2C(O)=O)c2ccccc12)C(=O)NCCCCCOc1cc2ccccc2cc1C(O)=O

InChI Key InChIKey=URRKGBLRIVECAH-YTTGMZPUSA-N

Data  6 KI

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 13954   

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

Curated by ChEMBL
LigandPNGBDBM13954(3-({5-[(2S)-3-{4-[(2-carboxyphenyl)amidoformic aci...)
Affinity DataKi:  20nMAssay Description:Inhibition of PTP1BMore data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM13954(3-({5-[(2S)-3-{4-[(2-carboxyphenyl)amidoformic aci...)
Affinity DataKi:  20nMAssay Description:Inhibition of PTP1B (unknown origin)More data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM13954(3-({5-[(2S)-3-{4-[(2-carboxyphenyl)amidoformic aci...)
Affinity DataKi:  20nMAssay Description:Inhibition of PTP1B (unknown origin)More data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 1(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM13954(3-({5-[(2S)-3-{4-[(2-carboxyphenyl)amidoformic aci...)
Affinity DataKi:  22nMAssay Description:Inhibition of PTP1B (unknown origin) using pNPP as substrate measured every 30 secs for 15 mins by Michaelis-Menten plot analysisMore data for this Ligand-Target Pair
TargetTyrosine-protein phosphatase non-receptor type 1 [1-298](Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM13954(3-({5-[(2S)-3-{4-[(2-carboxyphenyl)amidoformic aci...)
Affinity DataKi:  22nM ΔG°:  -10.3kcal/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
TargetTyrosine-protein phosphatase non-receptor type 2(Homo sapiens (Human))
Abbott Laboratories

LigandPNGBDBM13954(3-({5-[(2S)-3-{4-[(2-carboxyphenyl)amidoformic aci...)
Affinity DataKi:  49nM ΔG°:  -9.86kcal/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