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BDBM50335865 6-Hydroxy-2-(4-methoxyphenyl)-3-(1-(4-(naphthalen-1-ylamino)-4-oxobutyl)-1H-1,2,3-triazol-4-yl)benzofuran-5-carboxylic Acid::CHEMBL1650889

SMILES: COc1ccc(cc1)-c1oc2cc(O)c(cc2c1-c1cn(CCCC(=O)Nc2cccc3ccccc23)nn1)C(O)=O

InChI Key: InChIKey=LVGFRMIIXODOEQ-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50335865   
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 cell protein-tyrosine phosphatase 70Z-PEP


(Homo sapiens (Human))
BDBM50335865
PNG
(6-Hydroxy-2-(4-methoxyphenyl)-3-(1-(4-(naphthalen-...)
Show SMILES COc1ccc(cc1)-c1oc2cc(O)c(cc2c1-c1cn(CCCC(=O)Nc2cccc3ccccc23)nn1)C(O)=O
Show InChI InChI=1S/C32H26N4O6/c1-41-21-13-11-20(12-14-21)31-30(24-16-23(32(39)40)27(37)17-28(24)42-31)26-18-36(35-34-26)15-5-10-29(38)33-25-9-4-7-19-6-2-3-8-22(19)25/h2-4,6-9,11-14,16-18,37H,5,10,15H2,1H3,(H,33,38)(H,39,40)
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n/an/a 340n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant LyP assessed as hydrolysis of DiFMUP


J Med Chem 54: 562-71 (2011)


Article DOI: 10.1021/jm101004d
BindingDB Entry DOI: 10.7270/Q2N016T4
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50335865
PNG
(6-Hydroxy-2-(4-methoxyphenyl)-3-(1-(4-(naphthalen-...)
Show SMILES COc1ccc(cc1)-c1oc2cc(O)c(cc2c1-c1cn(CCCC(=O)Nc2cccc3ccccc23)nn1)C(O)=O
Show InChI InChI=1S/C32H26N4O6/c1-41-21-13-11-20(12-14-21)31-30(24-16-23(32(39)40)27(37)17-28(24)42-31)26-18-36(35-34-26)15-5-10-29(38)33-25-9-4-7-19-6-2-3-8-22(19)25/h2-4,6-9,11-14,16-18,37H,5,10,15H2,1H3,(H,33,38)(H,39,40)
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n/an/a 190n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


J Med Chem 54: 562-71 (2011)


Article DOI: 10.1021/jm101004d
BindingDB Entry DOI: 10.7270/Q2N016T4
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase F (LAR)


(Homo sapiens (Human))
BDBM50335865
PNG
(6-Hydroxy-2-(4-methoxyphenyl)-3-(1-(4-(naphthalen-...)
Show SMILES COc1ccc(cc1)-c1oc2cc(O)c(cc2c1-c1cn(CCCC(=O)Nc2cccc3ccccc23)nn1)C(O)=O
Show InChI InChI=1S/C32H26N4O6/c1-41-21-13-11-20(12-14-21)31-30(24-16-23(32(39)40)27(37)17-28(24)42-31)26-18-36(35-34-26)15-5-10-29(38)33-25-9-4-7-19-6-2-3-8-22(19)25/h2-4,6-9,11-14,16-18,37H,5,10,15H2,1H3,(H,33,38)(H,39,40)
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n/an/a 2.55E+4n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of LAR


J Med Chem 54: 562-71 (2011)


Article DOI: 10.1021/jm101004d
BindingDB Entry DOI: 10.7270/Q2N016T4
More data for this
Ligand-Target Pair
Leukocyte common antigen


(Homo sapiens (Human))
BDBM50335865
PNG
(6-Hydroxy-2-(4-methoxyphenyl)-3-(1-(4-(naphthalen-...)
Show SMILES COc1ccc(cc1)-c1oc2cc(O)c(cc2c1-c1cn(CCCC(=O)Nc2cccc3ccccc23)nn1)C(O)=O
Show InChI InChI=1S/C32H26N4O6/c1-41-21-13-11-20(12-14-21)31-30(24-16-23(32(39)40)27(37)17-28(24)42-31)26-18-36(35-34-26)15-5-10-29(38)33-25-9-4-7-19-6-2-3-8-22(19)25/h2-4,6-9,11-14,16-18,37H,5,10,15H2,1H3,(H,33,38)(H,39,40)
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n/an/a 410n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CD45


J Med Chem 54: 562-71 (2011)


Article DOI: 10.1021/jm101004d
BindingDB Entry DOI: 10.7270/Q2N016T4
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM50335865
PNG
(6-Hydroxy-2-(4-methoxyphenyl)-3-(1-(4-(naphthalen-...)
Show SMILES COc1ccc(cc1)-c1oc2cc(O)c(cc2c1-c1cn(CCCC(=O)Nc2cccc3ccccc23)nn1)C(O)=O
Show InChI InChI=1S/C32H26N4O6/c1-41-21-13-11-20(12-14-21)31-30(24-16-23(32(39)40)27(37)17-28(24)42-31)26-18-36(35-34-26)15-5-10-29(38)33-25-9-4-7-19-6-2-3-8-22(19)25/h2-4,6-9,11-14,16-18,37H,5,10,15H2,1H3,(H,33,38)(H,39,40)
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n/an/a 3.70E+3n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of HePTP


J Med Chem 54: 562-71 (2011)


Article DOI: 10.1021/jm101004d
BindingDB Entry DOI: 10.7270/Q2N016T4
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50335865
PNG
(6-Hydroxy-2-(4-methoxyphenyl)-3-(1-(4-(naphthalen-...)
Show SMILES COc1ccc(cc1)-c1oc2cc(O)c(cc2c1-c1cn(CCCC(=O)Nc2cccc3ccccc23)nn1)C(O)=O
Show InChI InChI=1S/C32H26N4O6/c1-41-21-13-11-20(12-14-21)31-30(24-16-23(32(39)40)27(37)17-28(24)42-31)26-18-36(35-34-26)15-5-10-29(38)33-25-9-4-7-19-6-2-3-8-22(19)25/h2-4,6-9,11-14,16-18,37H,5,10,15H2,1H3,(H,33,38)(H,39,40)
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n/an/a 335n/an/an/an/an/an/a



Sanford-Burnham Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Shp1


J Med Chem 54: 562-71 (2011)


Article DOI: 10.1021/jm101004d
BindingDB Entry DOI: 10.7270/Q2N016T4
More data for this
Ligand-Target Pair