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Compile Data Set for Download or QSAR

Found 18 hits with Last Name = 'adornato' and Initial = 'i'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50232100
PNG
(CHEMBL4061225)
Show SMILES OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccc(F)cc2)=C\c2ccc(OCCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C32H25FN2O4S/c33-26-12-14-27(15-13-26)34-32-35(21-24-6-10-25(11-7-24)31(37)38)30(36)29(40-32)20-23-8-16-28(17-9-23)39-19-18-22-4-2-1-3-5-22/h1-17,20H,18-19,21H2,(H,37,38)/b29-20-,34-32-
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1.00E+3n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Mixed non-competitive inhibition of full length recombinant human PTP1B assessed as enzyme-substrate-inhibitor complex using pNPP as substrate by dou...


Eur J Med Chem 127: 840-858 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.063
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50232102
PNG
(CHEMBL4080177)
Show SMILES OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccc(F)cc2)=C\c2ccc(OCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C31H23FN2O4S/c32-25-12-14-26(15-13-25)33-31-34(19-22-6-10-24(11-7-22)30(36)37)29(35)28(39-31)18-21-8-16-27(17-9-21)38-20-23-4-2-1-3-5-23/h1-18H,19-20H2,(H,36,37)/b28-18-,33-31-
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1.40E+3n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Competitive inhibition of full length recombinant human PTP1B assessed as enzyme-inhibitor complex using pNPP as substrate by double reciprocal plot ...


Eur J Med Chem 127: 840-858 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.063
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50232101
PNG
(CHEMBL4098207)
Show SMILES OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccc(F)cc2)=C\c2cccc(OCc3ccccc3)c2)cc1
Show InChI InChI=1S/C31H23FN2O4S/c32-25-13-15-26(16-14-25)33-31-34(19-21-9-11-24(12-10-21)30(36)37)29(35)28(39-31)18-23-7-4-8-27(17-23)38-20-22-5-2-1-3-6-22/h1-18H,19-20H2,(H,36,37)/b28-18-,33-31-
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1.50E+3n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Mixed non-competitive inhibition of full length recombinant human PTP1B assessed as enzyme-substrate-inhibitor complex using pNPP as substrate by dou...


Eur J Med Chem 127: 840-858 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.063
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50232103
PNG
(CHEMBL4089378)
Show SMILES OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccc(F)cc2)=C\c2cccc(OCCc3ccccc3)c2)cc1
Show InChI InChI=1S/C32H25FN2O4S/c33-26-13-15-27(16-14-26)34-32-35(21-23-9-11-25(12-10-23)31(37)38)30(36)29(40-32)20-24-7-4-8-28(19-24)39-18-17-22-5-2-1-3-6-22/h1-16,19-20H,17-18,21H2,(H,37,38)/b29-20-,34-32-
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2.30E+3n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Mixed non-competitive inhibition of full length recombinant human PTP1B assessed as enzyme-substrate-inhibitor complex using pNPP as substrate by dou...


Eur J Med Chem 127: 840-858 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.063
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50232093
PNG
(CHEMBL4072175)
Show SMILES OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccc(F)cc2)=C\c2cccc(Oc3ccccc3)c2)cc1
Show InChI InChI=1S/C30H21FN2O4S/c31-23-13-15-24(16-14-23)32-30-33(19-20-9-11-22(12-10-20)29(35)36)28(34)27(38-30)18-21-5-4-8-26(17-21)37-25-6-2-1-3-7-25/h1-18H,19H2,(H,35,36)/b27-18-,32-30-
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4.40E+3n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Competitive inhibition of full length recombinant human PTP1B assessed as enzyme-inhibitor complex using pNPP as substrate by double reciprocal plot ...


Eur J Med Chem 127: 840-858 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.063
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50232094
PNG
(CHEMBL4062661)
Show SMILES OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccc(F)cc2)=C\c2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C30H21FN2O4S/c31-23-12-14-24(15-13-23)32-30-33(19-21-6-10-22(11-7-21)29(35)36)28(34)27(38-30)18-20-8-16-26(17-9-20)37-25-4-2-1-3-5-25/h1-18H,19H2,(H,35,36)/b27-18-,32-30-
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9.90E+3n/an/an/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Competitive inhibition of full length recombinant human PTP1B assessed as enzyme-inhibitor complex using pNPP as substrate by double reciprocal plot ...


Eur J Med Chem 127: 840-858 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.063
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50232100
PNG
(CHEMBL4061225)
Show SMILES OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccc(F)cc2)=C\c2ccc(OCCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C32H25FN2O4S/c33-26-12-14-27(15-13-26)34-32-35(21-24-6-10-25(11-7-24)31(37)38)30(36)29(40-32)20-23-8-16-28(17-9-23)39-19-18-22-4-2-1-3-5-22/h1-17,20H,18-19,21H2,(H,37,38)/b29-20-,34-32-
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human PTP1B using pNPP as substrate by spectrophotometric method


Eur J Med Chem 127: 840-858 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.063
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50232095
PNG
(CHEMBL4081501)
Show SMILES OC(=O)c1ccc(CN2C(=S)S\C(=C/c3cccc(OCCc4ccccc4)c3)C2=O)cc1
Show InChI InChI=1S/C26H21NO4S2/c28-24-23(33-26(32)27(24)17-19-9-11-21(12-10-19)25(29)30)16-20-7-4-8-22(15-20)31-14-13-18-5-2-1-3-6-18/h1-12,15-16H,13-14,17H2,(H,29,30)/b23-16-
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n/an/a 1.90E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human PTP1B using pNPP as substrate by spectrophotometric method


Eur J Med Chem 127: 840-858 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.063
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50232102
PNG
(CHEMBL4080177)
Show SMILES OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccc(F)cc2)=C\c2ccc(OCc3ccccc3)cc2)cc1
Show InChI InChI=1S/C31H23FN2O4S/c32-25-12-14-26(15-13-25)33-31-34(19-22-6-10-24(11-7-22)30(36)37)29(35)28(39-31)18-21-8-16-27(17-9-21)38-20-23-4-2-1-3-5-23/h1-18H,19-20H2,(H,36,37)/b28-18-,33-31-
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n/an/a 1.90E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human PTP1B using pNPP as substrate by spectrophotometric method


Eur J Med Chem 127: 840-858 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.063
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50232096
PNG
(CHEMBL4099520)
Show SMILES OC(=O)c1ccc(CN2C(=S)S\C(=C/c3ccc(OCCc4ccccc4)cc3)C2=O)cc1
Show InChI InChI=1S/C26H21NO4S2/c28-24-23(33-26(32)27(24)17-20-6-10-21(11-7-20)25(29)30)16-19-8-12-22(13-9-19)31-15-14-18-4-2-1-3-5-18/h1-13,16H,14-15,17H2,(H,29,30)/b23-16-
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n/an/a 3.50E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human PTP1B using pNPP as substrate by spectrophotometric method


Eur J Med Chem 127: 840-858 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.063
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50232101
PNG
(CHEMBL4098207)
Show SMILES OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccc(F)cc2)=C\c2cccc(OCc3ccccc3)c2)cc1
Show InChI InChI=1S/C31H23FN2O4S/c32-25-13-15-26(16-14-25)33-31-34(19-21-9-11-24(12-10-21)30(36)37)29(35)28(39-31)18-23-7-4-8-27(17-23)38-20-22-5-2-1-3-6-22/h1-18H,19-20H2,(H,36,37)/b28-18-,33-31-
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n/an/a 4.20E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human PTP1B using pNPP as substrate by spectrophotometric method


Eur J Med Chem 127: 840-858 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.063
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50232097
PNG
(CHEMBL4091784)
Show SMILES OC(=O)c1ccc(CN2C(=S)S\C(=C/c3ccc(OCc4ccccc4)cc3)C2=O)cc1
Show InChI InChI=1S/C25H19NO4S2/c27-23-22(32-25(31)26(23)15-18-6-10-20(11-7-18)24(28)29)14-17-8-12-21(13-9-17)30-16-19-4-2-1-3-5-19/h1-14H,15-16H2,(H,28,29)/b22-14-
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human PTP1B using pNPP as substrate by spectrophotometric method


Eur J Med Chem 127: 840-858 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.063
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50232094
PNG
(CHEMBL4062661)
Show SMILES OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccc(F)cc2)=C\c2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C30H21FN2O4S/c31-23-12-14-24(15-13-23)32-30-33(19-21-6-10-22(11-7-21)29(35)36)28(34)27(38-30)18-20-8-16-26(17-9-20)37-25-4-2-1-3-5-25/h1-18H,19H2,(H,35,36)/b27-18-,32-30-
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n/an/a 5.10E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human PTP1B using pNPP as substrate by spectrophotometric method


Eur J Med Chem 127: 840-858 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.063
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50232104
PNG
(CHEMBL4070916)
Show SMILES OC(=O)c1ccc(CN2C(=S)S\C(=C/c3cccc(OCc4ccccc4)c3)C2=O)cc1
Show InChI InChI=1S/C25H19NO4S2/c27-23-22(32-25(31)26(23)15-17-9-11-20(12-10-17)24(28)29)14-19-7-4-8-21(13-19)30-16-18-5-2-1-3-6-18/h1-14H,15-16H2,(H,28,29)/b22-14-
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n/an/a 5.70E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human PTP1B using pNPP as substrate by spectrophotometric method


Eur J Med Chem 127: 840-858 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.063
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50232098
PNG
(CHEMBL4097088)
Show SMILES OC(=O)c1ccc(CN2C(=S)S\C(=C/c3cccc(Oc4ccccc4)c3)C2=O)cc1
Show InChI InChI=1S/C24H17NO4S2/c26-22-21(14-17-5-4-8-20(13-17)29-19-6-2-1-3-7-19)31-24(30)25(22)15-16-9-11-18(12-10-16)23(27)28/h1-14H,15H2,(H,27,28)/b21-14-
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n/an/a 7.10E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human PTP1B using pNPP as substrate by spectrophotometric method


Eur J Med Chem 127: 840-858 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.063
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50232093
PNG
(CHEMBL4072175)
Show SMILES OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccc(F)cc2)=C\c2cccc(Oc3ccccc3)c2)cc1
Show InChI InChI=1S/C30H21FN2O4S/c31-23-13-15-24(16-14-23)32-30-33(19-20-9-11-22(12-10-20)29(35)36)28(34)27(38-30)18-21-5-4-8-26(17-21)37-25-6-2-1-3-7-25/h1-18H,19H2,(H,35,36)/b27-18-,32-30-
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human PTP1B using pNPP as substrate by spectrophotometric method


Eur J Med Chem 127: 840-858 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.063
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50232099
PNG
(CHEMBL4069888)
Show SMILES OC(=O)c1ccc(CN2C(=S)S\C(=C/c3ccc(Oc4ccccc4)cc3)C2=O)cc1
Show InChI InChI=1S/C24H17NO4S2/c26-22-21(14-16-8-12-20(13-9-16)29-19-4-2-1-3-5-19)31-24(30)25(22)15-17-6-10-18(11-7-17)23(27)28/h1-14H,15H2,(H,27,28)/b21-14-
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n/an/a 1.06E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human PTP1B using pNPP as substrate by spectrophotometric method


Eur J Med Chem 127: 840-858 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.063
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50232103
PNG
(CHEMBL4089378)
Show SMILES OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccc(F)cc2)=C\c2cccc(OCCc3ccccc3)c2)cc1
Show InChI InChI=1S/C32H25FN2O4S/c33-26-13-15-27(16-14-26)34-32-35(21-23-9-11-25(12-10-23)31(37)38)30(36)29(40-32)20-24-7-4-8-28(19-24)39-18-17-22-5-2-1-3-6-22/h1-16,19-20H,17-18,21H2,(H,37,38)/b29-20-,34-32-
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n/an/a 1.45E+4n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human PTP1B using pNPP as substrate by spectrophotometric method


Eur J Med Chem 127: 840-858 (2017)


Article DOI: 10.1016/j.ejmech.2016.10.063
More data for this
Ligand-Target Pair