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BDBM50292293 4-(5-((4-hydroxy-3-(methoxycarbonyl)phenyl)amino)-5-oxopentanamido)-2,2,6,6-tetramethylpiperidin-1-olate::CHEMBL265864

SMILES: COC(=O)c1cc(NC(=O)CCCC(=O)NC2CC(C)(C)N([O])C(C)(C)C2)ccc1O

InChI Key: InChIKey=MDORRZMQSBMXRE-UHFFFAOYSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50292293   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50292293
PNG
(4-(5-((4-hydroxy-3-(methoxycarbonyl)phenyl)amino)-...)
Show SMILES COC(=O)c1cc(NC(=O)CCCC(=O)NC2CC(C)(C)N([O])C(C)(C)C2)ccc1O |^1:22|
Show InChI InChI=1S/C22H32N3O6/c1-21(2)12-15(13-22(3,4)25(21)30)24-19(28)8-6-7-18(27)23-14-9-10-17(26)16(11-14)20(29)31-5/h9-11,15,26H,6-8,12-13H2,1-5H3,(H,23,27)(H,24,28)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of TCPTP


J Med Chem 50: 2137-43 (2007)


Article DOI: 10.1021/jm061481l
BindingDB Entry DOI: 10.7270/Q2BG2NP4
More data for this
Ligand-Target Pair
Leukocyte common antigen


(Homo sapiens (Human))
BDBM50292293
PNG
(4-(5-((4-hydroxy-3-(methoxycarbonyl)phenyl)amino)-...)
Show SMILES COC(=O)c1cc(NC(=O)CCCC(=O)NC2CC(C)(C)N([O])C(C)(C)C2)ccc1O |^1:22|
Show InChI InChI=1S/C22H32N3O6/c1-21(2)12-15(13-22(3,4)25(21)30)24-19(28)8-6-7-18(27)23-14-9-10-17(26)16(11-14)20(29)31-5/h9-11,15,26H,6-8,12-13H2,1-5H3,(H,23,27)(H,24,28)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of CD45


J Med Chem 50: 2137-43 (2007)


Article DOI: 10.1021/jm061481l
BindingDB Entry DOI: 10.7270/Q2BG2NP4
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50292293
PNG
(4-(5-((4-hydroxy-3-(methoxycarbonyl)phenyl)amino)-...)
Show SMILES COC(=O)c1cc(NC(=O)CCCC(=O)NC2CC(C)(C)N([O])C(C)(C)C2)ccc1O |^1:22|
Show InChI InChI=1S/C22H32N3O6/c1-21(2)12-15(13-22(3,4)25(21)30)24-19(28)8-6-7-18(27)23-14-9-10-17(26)16(11-14)20(29)31-5/h9-11,15,26H,6-8,12-13H2,1-5H3,(H,23,27)(H,24,28)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


J Med Chem 50: 2137-43 (2007)


Article DOI: 10.1021/jm061481l
BindingDB Entry DOI: 10.7270/Q2BG2NP4
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM50292293
PNG
(4-(5-((4-hydroxy-3-(methoxycarbonyl)phenyl)amino)-...)
Show SMILES COC(=O)c1cc(NC(=O)CCCC(=O)NC2CC(C)(C)N([O])C(C)(C)C2)ccc1O |^1:22|
Show InChI InChI=1S/C22H32N3O6/c1-21(2)12-15(13-22(3,4)25(21)30)24-19(28)8-6-7-18(27)23-14-9-10-17(26)16(11-14)20(29)31-5/h9-11,15,26H,6-8,12-13H2,1-5H3,(H,23,27)(H,24,28)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of HePTP


J Med Chem 50: 2137-43 (2007)


Article DOI: 10.1021/jm061481l
BindingDB Entry DOI: 10.7270/Q2BG2NP4
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM50292293
PNG
(4-(5-((4-hydroxy-3-(methoxycarbonyl)phenyl)amino)-...)
Show SMILES COC(=O)c1cc(NC(=O)CCCC(=O)NC2CC(C)(C)N([O])C(C)(C)C2)ccc1O |^1:22|
Show InChI InChI=1S/C22H32N3O6/c1-21(2)12-15(13-22(3,4)25(21)30)24-19(28)8-6-7-18(27)23-14-9-10-17(26)16(11-14)20(29)31-5/h9-11,15,26H,6-8,12-13H2,1-5H3,(H,23,27)(H,24,28)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Inhibition of VHR


J Med Chem 50: 2137-43 (2007)


Article DOI: 10.1021/jm061481l
BindingDB Entry DOI: 10.7270/Q2BG2NP4
More data for this
Ligand-Target Pair