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BDBM50292294 4-(5-((3-carboxy-4-hydroxyphenyl)amino)-5-oxopentanamido)-2,2,6,6-tetramethylpiperidin-1-olate::CHEMBL445152

SMILES: CC1(C)CC(CC(C)(C)N1[O])NC(=O)CCCC(=O)Nc1ccc(O)c(c1)C(O)=O

InChI Key: InChIKey=DCYFVWFWQLZGNF-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 = 50292294   
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
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM50292294
PNG
(4-(5-((3-carboxy-4-hydroxyphenyl)amino)-5-oxopenta...)
Show SMILES CC1(C)CC(CC(C)(C)N1[O])NC(=O)CCCC(=O)Nc1ccc(O)c(c1)C(O)=O |^1:10|
Show InChI InChI=1S/C21H30N3O6/c1-20(2)11-14(12-21(3,4)24(20)30)23-18(27)7-5-6-17(26)22-13-8-9-16(25)15(10-13)19(28)29/h8-10,14,25H,5-7,11-12H2,1-4H3,(H,22,26)(H,23,27)(H,28,29)
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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
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM50292294
PNG
(4-(5-((3-carboxy-4-hydroxyphenyl)amino)-5-oxopenta...)
Show SMILES CC1(C)CC(CC(C)(C)N1[O])NC(=O)CCCC(=O)Nc1ccc(O)c(c1)C(O)=O |^1:10|
Show InChI InChI=1S/C21H30N3O6/c1-20(2)11-14(12-21(3,4)24(20)30)23-18(27)7-5-6-17(26)22-13-8-9-16(25)15(10-13)19(28)29/h8-10,14,25H,5-7,11-12H2,1-4H3,(H,22,26)(H,23,27)(H,28,29)
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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
Leukocyte common antigen


(Homo sapiens (Human))
BDBM50292294
PNG
(4-(5-((3-carboxy-4-hydroxyphenyl)amino)-5-oxopenta...)
Show SMILES CC1(C)CC(CC(C)(C)N1[O])NC(=O)CCCC(=O)Nc1ccc(O)c(c1)C(O)=O |^1:10|
Show InChI InChI=1S/C21H30N3O6/c1-20(2)11-14(12-21(3,4)24(20)30)23-18(27)7-5-6-17(26)22-13-8-9-16(25)15(10-13)19(28)29/h8-10,14,25H,5-7,11-12H2,1-4H3,(H,22,26)(H,23,27)(H,28,29)
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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
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50292294
PNG
(4-(5-((3-carboxy-4-hydroxyphenyl)amino)-5-oxopenta...)
Show SMILES CC1(C)CC(CC(C)(C)N1[O])NC(=O)CCCC(=O)Nc1ccc(O)c(c1)C(O)=O |^1:10|
Show InChI InChI=1S/C21H30N3O6/c1-20(2)11-14(12-21(3,4)24(20)30)23-18(27)7-5-6-17(26)22-13-8-9-16(25)15(10-13)19(28)29/h8-10,14,25H,5-7,11-12H2,1-4H3,(H,22,26)(H,23,27)(H,28,29)
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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
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50292294
PNG
(4-(5-((3-carboxy-4-hydroxyphenyl)amino)-5-oxopenta...)
Show SMILES CC1(C)CC(CC(C)(C)N1[O])NC(=O)CCCC(=O)Nc1ccc(O)c(c1)C(O)=O |^1:10|
Show InChI InChI=1S/C21H30N3O6/c1-20(2)11-14(12-21(3,4)24(20)30)23-18(27)7-5-6-17(26)22-13-8-9-16(25)15(10-13)19(28)29/h8-10,14,25H,5-7,11-12H2,1-4H3,(H,22,26)(H,23,27)(H,28,29)
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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