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BDBM50292292 (E)-2-hydroxy-5-(5-(3-((1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino)-3-oxoprop-1-en-1-yl)furan-2-yl)benzoic acid::CHEMBL227379

SMILES: CC1(C)CC(CC(C)(C)N1[O])NC(=O)\C=C\c1ccc(o1)-c1ccc(O)c(c1)C(O)=O

InChI Key: InChIKey=QZOKPZADMFTRFL-JXMROGBWSA-N

Data: 5 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50292292   
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
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM50292292
PNG
((E)-2-hydroxy-5-(5-(3-((1-hydroxy-2,2,6,6-tetramet...)
Show SMILES CC1(C)CC(CC(C)(C)N1[O])NC(=O)\C=C\c1ccc(o1)-c1ccc(O)c(c1)C(O)=O |^1:10|
Show InChI InChI=1S/C23H27N2O6/c1-22(2)12-15(13-23(3,4)25(22)30)24-20(27)10-7-16-6-9-19(31-16)14-5-8-18(26)17(11-14)21(28)29/h5-11,15,26H,12-13H2,1-4H3,(H,24,27)(H,28,29)/b10-7+
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.50E+3n/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))
BDBM50292292
PNG
((E)-2-hydroxy-5-(5-(3-((1-hydroxy-2,2,6,6-tetramet...)
Show SMILES CC1(C)CC(CC(C)(C)N1[O])NC(=O)\C=C\c1ccc(o1)-c1ccc(O)c(c1)C(O)=O |^1:10|
Show InChI InChI=1S/C23H27N2O6/c1-22(2)12-15(13-23(3,4)25(22)30)24-20(27)10-7-16-6-9-19(31-16)14-5-8-18(26)17(11-14)21(28)29/h5-11,15,26H,12-13H2,1-4H3,(H,24,27)(H,28,29)/b10-7+
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n/an/a 1.40E+4n/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
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM50292292
PNG
((E)-2-hydroxy-5-(5-(3-((1-hydroxy-2,2,6,6-tetramet...)
Show SMILES CC1(C)CC(CC(C)(C)N1[O])NC(=O)\C=C\c1ccc(o1)-c1ccc(O)c(c1)C(O)=O |^1:10|
Show InChI InChI=1S/C23H27N2O6/c1-22(2)12-15(13-23(3,4)25(22)30)24-20(27)10-7-16-6-9-19(31-16)14-5-8-18(26)17(11-14)21(28)29/h5-11,15,26H,12-13H2,1-4H3,(H,24,27)(H,28,29)/b10-7+
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n/an/a 1.20E+4n/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
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50292292
PNG
((E)-2-hydroxy-5-(5-(3-((1-hydroxy-2,2,6,6-tetramet...)
Show SMILES CC1(C)CC(CC(C)(C)N1[O])NC(=O)\C=C\c1ccc(o1)-c1ccc(O)c(c1)C(O)=O |^1:10|
Show InChI InChI=1S/C23H27N2O6/c1-22(2)12-15(13-23(3,4)25(22)30)24-20(27)10-7-16-6-9-19(31-16)14-5-8-18(26)17(11-14)21(28)29/h5-11,15,26H,12-13H2,1-4H3,(H,24,27)(H,28,29)/b10-7+
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n/an/a 1.40E+4n/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))
BDBM50292292
PNG
((E)-2-hydroxy-5-(5-(3-((1-hydroxy-2,2,6,6-tetramet...)
Show SMILES CC1(C)CC(CC(C)(C)N1[O])NC(=O)\C=C\c1ccc(o1)-c1ccc(O)c(c1)C(O)=O |^1:10|
Show InChI InChI=1S/C23H27N2O6/c1-22(2)12-15(13-23(3,4)25(22)30)24-20(27)10-7-16-6-9-19(31-16)14-5-8-18(26)17(11-14)21(28)29/h5-11,15,26H,12-13H2,1-4H3,(H,24,27)(H,28,29)/b10-7+
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n/an/a 2.40E+4n/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