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PubMed code 16789735

Compile data set for download or QSAR
Found 57 hits of Enzyme Inhibition Constant Data   
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))
BDBM50189670
PNG
(5-{4-[(2S)-2-(5-chloro-1H-benzimidazol-2-yl)-2-({[...)
Show SMILES Fc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)c2nc3ccc(Cl)cc3[nH]2)ccc1C1CC(=O)[N-]S1(=O)=O
Show InChI InChI=1S/C25H19ClF4N4O5S2/c26-15-5-7-19-20(11-15)32-24(31-19)21(33-40(36,37)16-3-1-2-14(10-16)25(28,29)30)9-13-4-6-17(18(27)8-13)22-12-23(35)34-41(22,38)39/h1-8,10-11,21-22,33H,9,12H2,(H2,31,32,34,35)/p-1/t21-,22?/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189686
PNG
(CHEMBL381584 | N-(1S)-1-(1H-benzimidazol-2-yl)-2-{...)
Show SMILES Fc1cccc(c1)S(=O)(=O)N[C@@H](Cc1ccc([C@@H]2CC(=O)[N-]S2(=O)=O)c(F)c1)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C24H20F2N4O5S2/c25-15-4-3-5-16(12-15)36(32,33)29-21(24-27-19-6-1-2-7-20(19)28-24)11-14-8-9-17(18(26)10-14)22-13-23(31)30-37(22,34)35/h1-10,12,21-22,29H,11,13H2,(H2,27,28,30,31)/p-1/t21-,22-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189659
PNG
(CHEMBL378614 | N-((1S)-1-(1H-benzimidazol-2-yl)-2-...)
Show SMILES Cc1cc(C[C@H](NS(=O)(=O)c2ccc(Br)c(c2)C(F)(F)F)c2nc3ccccc3[nH]2)ccc1[C@@H]1CC(=O)[N-]S1(=O)=O
Show InChI InChI=1S/C26H22BrF3N4O5S2/c1-14-10-15(6-8-17(14)23-13-24(35)34-41(23,38)39)11-22(25-31-20-4-2-3-5-21(20)32-25)33-40(36,37)16-7-9-19(27)18(12-16)26(28,29)30/h2-10,12,22-23,33H,11,13H2,1H3,(H2,31,32,34,35)/p-1/t22-,23-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189687
PNG
(CHEMBL211352 | N-((1S)-1-(1H-benzimidazol-2-yl)-2-...)
Show SMILES Cc1cc(C[C@H](NS(=O)(=O)c2ccccc2C#N)c2nc3ccccc3[nH]2)ccc1[C@@H]1CC(=O)[N-]S1(=O)=O
Show InChI InChI=1S/C26H23N5O5S2/c1-16-12-17(10-11-19(16)24-14-25(32)31-38(24,35)36)13-22(26-28-20-7-3-4-8-21(20)29-26)30-37(33,34)23-9-5-2-6-18(23)15-27/h2-12,22,24,30H,13-14H2,1H3,(H2,28,29,31,32)/p-1/t22-,24-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189656
PNG
(CHEMBL208114 | N-{(1S)-1-(1H-benzimidazol-2-yl)-2-...)
Show SMILES Fc1cc(C[C@H](NS(=O)(=O)c2ccccc2)c2nc3ccccc3[nH]2)ccc1C1CC(=O)[N-]S1(=O)=O
Show InChI InChI=1S/C24H21FN4O5S2/c25-18-12-15(10-11-17(18)22-14-23(30)29-36(22,33)34)13-21(24-26-19-8-4-5-9-20(19)27-24)28-35(31,32)16-6-2-1-3-7-16/h1-12,21-22,28H,13-14H2,(H2,26,27,29,30)/p-1/t21-,22?/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189642
PNG
(CHEMBL210836 | N-(1S)-1-(1H-benzimidazol-2yl)-2-4-...)
Show SMILES O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3ccccc3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)[N-]1
Show InChI InChI=1S/C24H22N4O5S2/c29-23-15-22(35(32,33)28-23)17-12-10-16(11-13-17)14-21(24-25-19-8-4-5-9-20(19)26-24)27-34(30,31)18-6-2-1-3-7-18/h1-13,21-22,27H,14-15H2,(H2,25,26,28,29)/p-1/t21-,22-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM14268
PNG
((2S)-N-[(1S)-1-(1H-1,3-benzodiazol-2-yl)-2-{4-[(5S...)
Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)[C@@H]1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C29H29N5O5S/c1-18(35)30-25(16-19-7-3-2-4-8-19)29(37)33-24(28-31-22-9-5-6-10-23(22)32-28)15-20-11-13-21(14-12-20)26-17-27(36)34-40(26,38)39/h2-14,24-26H,15-17H2,1H3,(H,30,35)(H,31,32)(H,33,37)(H,34,36)/t24-,25-,26-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189640
PNG
(CHEMBL377989 | N-((1S)-1-(1H-benzimidazol-2-yl)-2-...)
Show SMILES Cc1cc(C[C@H](NS(=O)(=O)c2ccccc2)c2nc3ccccc3[nH]2)ccc1[C@@H]1CC(=O)[N-]S1(=O)=O
Show InChI InChI=1S/C25H24N4O5S2/c1-16-13-17(11-12-19(16)23-15-24(30)29-36(23,33)34)14-22(25-26-20-9-5-6-10-21(20)27-25)28-35(31,32)18-7-3-2-4-8-18/h2-13,22-23,28H,14-15H2,1H3,(H2,26,27,29,30)/p-1/t22-,23-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189635
PNG
(CHEMBL424880 | N-((1S)-1-(1H-benzimidazol-2yl)-2-4...)
Show SMILES Fc1cccc(c1)S(=O)(=O)NC(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C24H21FN4O5S2/c25-17-4-3-5-18(13-17)35(31,32)28-21(24-26-19-6-1-2-7-20(19)27-24)12-15-8-10-16(11-9-15)22-14-23(30)29-36(22,33)34/h1-11,13,21-22,28H,12,14H2,(H,26,27)(H,29,30)
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n/an/a 43n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189649
PNG
(CHEMBL212260 | N-{1-(1H-benzoimidazol-2-yl)-2-[4-(...)
Show SMILES O=C1CC(c2ccc(CC(NS(=O)(=O)c3ccccc3C#N)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1
Show InChI InChI=1S/C25H21N5O5S2/c26-15-18-5-1-4-8-22(18)36(32,33)29-21(25-27-19-6-2-3-7-20(19)28-25)13-16-9-11-17(12-10-16)23-14-24(31)30-37(23,34)35/h1-12,21,23,29H,13-14H2,(H,27,28)(H,30,31)
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n/an/a 45n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189658
PNG
(CHEMBL377735 | N-{1-(1H-benzoimidazol-2-yl)-2-[4-(...)
Show SMILES COc1cccc(c1)S(=O)(=O)NC(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C25H24N4O6S2/c1-35-18-5-4-6-19(14-18)36(31,32)28-22(25-26-20-7-2-3-8-21(20)27-25)13-16-9-11-17(12-10-16)23-15-24(30)29-37(23,33)34/h2-12,14,22-23,28H,13,15H2,1H3,(H,26,27)(H,29,30)
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n/an/a 48n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189657
PNG
(CHEMBL208604 | N-(1S)-1-(1H-benzimidazol-2-yl)-2-{...)
Show SMILES Clc1cc(C[C@H](NS(=O)(=O)c2ccccc2)c2nc3ccccc3[nH]2)ccc1[C@@H]1CC(=O)[N-]S1(=O)=O
Show InChI InChI=1S/C24H21ClN4O5S2/c25-18-12-15(10-11-17(18)22-14-23(30)29-36(22,33)34)13-21(24-26-19-8-4-5-9-20(19)27-24)28-35(31,32)16-6-2-1-3-7-16/h1-12,21-22,28H,13-14H2,(H2,26,27,29,30)/p-1/t21-,22-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189655
PNG
(CHEMBL207489 | N-{1-(1H-benzoimidazol-2-yl)-2-[4-(...)
Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)NC(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C25H21F3N4O5S2/c26-25(27,28)17-9-11-18(12-10-17)38(34,35)31-21(24-29-19-3-1-2-4-20(19)30-24)13-15-5-7-16(8-6-15)22-14-23(33)32-39(22,36)37/h1-12,21-22,31H,13-14H2,(H,29,30)(H,32,33)
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n/an/a 51n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189688
PNG
(CHEMBL206950 | N-{1-(1H-benzoimidazol-2-yl)-2-[4-(...)
Show SMILES Clc1cc(Cl)cc(c1)S(=O)(=O)NC(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C24H20Cl2N4O5S2/c25-16-10-17(26)12-18(11-16)36(32,33)29-21(24-27-19-3-1-2-4-20(19)28-24)9-14-5-7-15(8-6-14)22-13-23(31)30-37(22,34)35/h1-8,10-12,21-22,29H,9,13H2,(H,27,28)(H,30,31)
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n/an/a 51n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189647
PNG
(CHEMBL264833 | biphenyl-4-sulfonic acid {1-(5-cyan...)
Show SMILES O=C1CC(c2ccc(CC(NS(=O)(=O)c3ccc(cc3)-c3ccccc3)c3nc4ccc(cc4[nH]3)C#N)cc2)S(=O)(=O)N1
Show InChI InChI=1S/C31H25N5O5S2/c32-19-21-8-15-26-27(17-21)34-31(33-26)28(16-20-6-9-24(10-7-20)29-18-30(37)36-43(29,40)41)35-42(38,39)25-13-11-23(12-14-25)22-4-2-1-3-5-22/h1-15,17,28-29,35H,16,18H2,(H,33,34)(H,36,37)
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n/an/a 53n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189648
PNG
(CHEMBL212147 | N-{1-(1H-benzoimidazol-2-yl)-2-[4-(...)
Show SMILES Clc1cccc(c1)S(=O)(=O)NC(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C24H21ClN4O5S2/c25-17-4-3-5-18(13-17)35(31,32)28-21(24-26-19-6-1-2-7-20(19)27-24)12-15-8-10-16(11-9-15)22-14-23(30)29-36(22,33)34/h1-11,13,21-22,28H,12,14H2,(H,26,27)(H,29,30)
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n/an/a 60n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189673
PNG
(CHEMBL383437 | N-{1-(1H-benzoimidazol-2-yl)-2-[4-(...)
Show SMILES O=C1CC(c2ccc(CC(NS(=O)(=O)c3ccc(cc3)C#N)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1
Show InChI InChI=1S/C25H21N5O5S2/c26-15-17-7-11-19(12-8-17)36(32,33)29-22(25-27-20-3-1-2-4-21(20)28-25)13-16-5-9-18(10-6-16)23-14-24(31)30-37(23,34)35/h1-12,22-23,29H,13-14H2,(H,27,28)(H,30,31)
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n/an/a 63n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189675
PNG
(CHEMBL436933 | N-{1-(1H-benzoimidazol-2-yl)-2-[4-(...)
Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)NC(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C25H21F3N4O5S2/c26-25(27,28)17-4-3-5-18(13-17)38(34,35)31-21(24-29-19-6-1-2-7-20(19)30-24)12-15-8-10-16(11-9-15)22-14-23(33)32-39(22,36)37/h1-11,13,21-22,31H,12,14H2,(H,29,30)(H,32,33)
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n/an/a 67n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189679
PNG
(CHEMBL210324 | N-{1-(1H-benzoimidazol-2-yl)-2-[4-(...)
Show SMILES Fc1cc(F)cc(c1)S(=O)(=O)NC(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C24H20F2N4O5S2/c25-16-10-17(26)12-18(11-16)36(32,33)29-21(24-27-19-3-1-2-4-20(19)28-24)9-14-5-7-15(8-6-14)22-13-23(31)30-37(22,34)35/h1-8,10-12,21-22,29H,9,13H2,(H,27,28)(H,30,31)
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n/an/a 72n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189669
PNG
(CHEMBL377441 | N-((1S)-1-(1H-benzimidazol-2yl)-2-{...)
Show SMILES Cc1cc(C[C@H](NS(=O)(=O)c2cccc(Cl)c2)c2nc3ccccc3[nH]2)ccc1[C@@H]1CC(=O)[N-]S1(=O)=O
Show InChI InChI=1S/C25H23ClN4O5S2/c1-15-11-16(9-10-19(15)23-14-24(31)30-37(23,34)35)12-22(25-27-20-7-2-3-8-21(20)28-25)29-36(32,33)18-6-4-5-17(26)13-18/h2-11,13,22-23,29H,12,14H2,1H3,(H2,27,28,30,31)/p-1/t22-,23-/m0/s1
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n/an/a 76n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189637
PNG
(CHEMBL209107 | N-{1-(1H-benzoimidazol-2-yl)-2-[4-(...)
Show SMILES Brc1cccc(c1)S(=O)(=O)NC(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C24H21BrN4O5S2/c25-17-4-3-5-18(13-17)35(31,32)28-21(24-26-19-6-1-2-7-20(19)27-24)12-15-8-10-16(11-9-15)22-14-23(30)29-36(22,33)34/h1-11,13,21-22,28H,12,14H2,(H,26,27)(H,29,30)
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n/an/a 77n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189654
PNG
(CHEMBL210965 | N-{1-(1H-benzoimidazol-2-yl)-2-[4-(...)
Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)NC(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C24H20Cl2N4O5S2/c25-17-10-9-16(12-18(17)26)36(32,33)29-21(24-27-19-3-1-2-4-20(19)28-24)11-14-5-7-15(8-6-14)22-13-23(31)30-37(22,34)35/h1-10,12,21-22,29H,11,13H2,(H,27,28)(H,30,31)
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n/an/a 79n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189677
PNG
(CHEMBL380164 | N-{1-(1H-benzoimidazol-2-yl)-2-[4-(...)
Show SMILES Fc1ccc(cc1)S(=O)(=O)NC(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C24H21FN4O5S2/c25-17-9-11-18(12-10-17)35(31,32)28-21(24-26-19-3-1-2-4-20(19)27-24)13-15-5-7-16(8-6-15)22-14-23(30)29-36(22,33)34/h1-12,21-22,28H,13-14H2,(H,26,27)(H,29,30)
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n/an/a 80n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189681
PNG
(CHEMBL208985 | N-{1-(1H-benzoimidazol-2-yl)-2-[4-(...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C25H24N4O5S2/c1-16-6-12-19(13-7-16)35(31,32)28-22(25-26-20-4-2-3-5-21(20)27-25)14-17-8-10-18(11-9-17)23-15-24(30)29-36(23,33)34/h2-13,22-23,28H,14-15H2,1H3,(H,26,27)(H,29,30)
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n/an/a 80n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189653
PNG
(Biphenyl-4-sulfonic acid {1-(1H-benzoimidazol-2-yl...)
Show SMILES O=C1CC(c2ccc(CC(NS(=O)(=O)c3ccc(cc3)-c3ccccc3)c3nc4ccccc4[nH]3)cc2)S(=O)(=O)N1
Show InChI InChI=1S/C30H26N4O5S2/c35-29-19-28(41(38,39)34-29)23-12-10-20(11-13-23)18-27(30-31-25-8-4-5-9-26(25)32-30)33-40(36,37)24-16-14-22(15-17-24)21-6-2-1-3-7-21/h1-17,27-28,33H,18-19H2,(H,31,32)(H,34,35)
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n/an/a 80n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189651
PNG
(CHEMBL211076 | N-{1-(1H-benzoimidazol-2-yl)-2-[4-(...)
Show SMILES Cc1cccc(c1)S(=O)(=O)NC(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C25H24N4O5S2/c1-16-5-4-6-19(13-16)35(31,32)28-22(25-26-20-7-2-3-8-21(20)27-25)14-17-9-11-18(12-10-17)23-15-24(30)29-36(23,33)34/h2-13,22-23,28H,14-15H2,1H3,(H,26,27)(H,29,30)
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n/an/a 85n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189660
PNG
(CHEMBL211171 | N-{1-(1H-benzoimidazol-2-yl)-2-[4-(...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C25H24N4O6S2/c1-35-18-10-12-19(13-11-18)36(31,32)28-22(25-26-20-4-2-3-5-21(20)27-25)14-16-6-8-17(9-7-16)23-15-24(30)29-37(23,33)34/h2-13,22-23,28H,14-15H2,1H3,(H,26,27)(H,29,30)
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n/an/a 94n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189650
PNG
(CHEMBL437119 | N-{1-(1H-benzoimidazol-2-yl)-2-[4-(...)
Show SMILES Fc1ccc(c(F)c1)S(=O)(=O)NC(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C24H20F2N4O5S2/c25-16-9-10-21(17(26)12-16)36(32,33)29-20(24-27-18-3-1-2-4-19(18)28-24)11-14-5-7-15(8-6-14)22-13-23(31)30-37(22,34)35/h1-10,12,20,22,29H,11,13H2,(H,27,28)(H,30,31)
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n/an/a 110n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189676
PNG
(CHEMBL207492 | N-{1-(1H-benzoimidazol-2-yl)-2-[4-(...)
Show SMILES Fc1ccc(cc1F)S(=O)(=O)NC(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C24H20F2N4O5S2/c25-17-10-9-16(12-18(17)26)36(32,33)29-21(24-27-19-3-1-2-4-20(19)28-24)11-14-5-7-15(8-6-14)22-13-23(31)30-37(22,34)35/h1-10,12,21-22,29H,11,13H2,(H,27,28)(H,30,31)
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n/an/a 110n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189645
PNG
(CHEMBL377774 | N-{1-(1H-benzoimidazol-2-yl)-2-[4-(...)
Show SMILES Brc1ccc(cc1)S(=O)(=O)NC(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C24H21BrN4O5S2/c25-17-9-11-18(12-10-17)35(31,32)28-21(24-26-19-3-1-2-4-20(19)27-24)13-15-5-7-16(8-6-15)22-14-23(30)29-36(22,33)34/h1-12,21-22,28H,13-14H2,(H,26,27)(H,29,30)
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n/an/a 110n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189636
PNG
(CHEMBL210159 | N-{1-(1H-benzoimidazol-2-yl)-2-[4-(...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)NC(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C24H21ClN4O5S2/c25-17-9-11-18(12-10-17)35(31,32)28-21(24-26-19-3-1-2-4-20(19)27-24)13-15-5-7-16(8-6-15)22-14-23(30)29-36(22,33)34/h1-12,21-22,28H,13-14H2,(H,26,27)(H,29,30)
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n/an/a 110n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189665
PNG
(CHEMBL378746 | biphenyl-4-sulfonic acid {1-(5-fluo...)
Show SMILES Fc1ccc2nc([nH]c2c1)C(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)NS(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C30H25FN4O5S2/c31-23-12-15-25-26(17-23)33-30(32-25)27(16-19-6-8-22(9-7-19)28-18-29(36)35-42(28,39)40)34-41(37,38)24-13-10-21(11-14-24)20-4-2-1-3-5-20/h1-15,17,27-28,34H,16,18H2,(H,32,33)(H,35,36)
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n/an/a 120n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189638
PNG
(CHEMBL210837 | N-{1-(1H-benzoimidazol-2-yl)-2-[4-(...)
Show SMILES Fc1ccccc1S(=O)(=O)NC(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C24H21FN4O5S2/c25-17-5-1-4-8-21(17)35(31,32)28-20(24-26-18-6-2-3-7-19(18)27-24)13-15-9-11-16(12-10-15)22-14-23(30)29-36(22,33)34/h1-12,20,22,28H,13-14H2,(H,26,27)(H,29,30)
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n/an/a 120n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189672
PNG
(CHEMBL376950 | biphenyl-4-sulfonic acid {1-(5-meth...)
Show SMILES COc1ccc2nc([nH]c2c1)C(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)NS(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C31H28N4O6S2/c1-41-24-13-16-26-27(18-24)33-31(32-26)28(17-20-7-9-23(10-8-20)29-19-30(36)35-43(29,39)40)34-42(37,38)25-14-11-22(12-15-25)21-5-3-2-4-6-21/h2-16,18,28-29,34H,17,19H2,1H3,(H,32,33)(H,35,36)
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n/an/a 130n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189680
PNG
(CHEMBL209304 | N-{1-(1H-benzoimidazol-2-yl)-2-[4-(...)
Show SMILES FC(F)(F)c1ccccc1S(=O)(=O)NC(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C25H21F3N4O5S2/c26-25(27,28)17-5-1-4-8-21(17)38(34,35)31-20(24-29-18-6-2-3-7-19(18)30-24)13-15-9-11-16(12-10-15)22-14-23(33)32-39(22,36)37/h1-12,20,22,31H,13-14H2,(H,29,30)(H,32,33)
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n/an/a 130n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189671
PNG
(CHEMBL264347 | N-{1-(1H-benzoimidazol-2-yl)-2-[4-(...)
Show SMILES Fc1ccc(F)c(c1)S(=O)(=O)NC(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C24H20F2N4O5S2/c25-16-9-10-17(26)22(12-16)37(34,35)29-20(24-27-18-3-1-2-4-19(18)28-24)11-14-5-7-15(8-6-14)21-13-23(31)30-36(21,32)33/h1-10,12,20-21,29H,11,13H2,(H,27,28)(H,30,31)
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n/an/a 140n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189643
PNG
(CHEMBL378747 | biphenyl-4-sulfonic acid {1-(5-chlo...)
Show SMILES Clc1ccc2nc([nH]c2c1)C(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)NS(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C30H25ClN4O5S2/c31-23-12-15-25-26(17-23)33-30(32-25)27(16-19-6-8-22(9-7-19)28-18-29(36)35-42(28,39)40)34-41(37,38)24-13-10-21(11-14-24)20-4-2-1-3-5-20/h1-15,17,27-28,34H,16,18H2,(H,32,33)(H,35,36)
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n/an/a 140n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189646
PNG
(CHEMBL377978 | biphenyl-4-sulfonic acid {1-(5-meth...)
Show SMILES Cc1ccc2nc([nH]c2c1)C(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)NS(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C31H28N4O5S2/c1-20-7-16-26-27(17-20)33-31(32-26)28(18-21-8-10-24(11-9-21)29-19-30(36)35-42(29,39)40)34-41(37,38)25-14-12-23(13-15-25)22-5-3-2-4-6-22/h2-17,28-29,34H,18-19H2,1H3,(H,32,33)(H,35,36)
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n/an/a 140n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189684
PNG
(2-{1-(biphenyl-4-sulfonylamino)-2-[4-(1,1,3-trioxo...)
Show SMILES COC(=O)c1ccc2nc([nH]c2c1)C(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)NS(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C32H28N4O7S2/c1-43-32(38)24-13-16-26-27(18-24)34-31(33-26)28(17-20-7-9-23(10-8-20)29-19-30(37)36-45(29,41)42)35-44(39,40)25-14-11-22(12-15-25)21-5-3-2-4-6-21/h2-16,18,28-29,35H,17,19H2,1H3,(H,33,34)(H,36,37)
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n/an/a 150n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189662
PNG
(CHEMBL377816 | biphenyl-4-sulfonic acid {1-(5-trif...)
Show SMILES FC(F)(F)c1ccc2nc([nH]c2c1)C(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)NS(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C31H25F3N4O5S2/c32-31(33,34)23-12-15-25-26(17-23)36-30(35-25)27(16-19-6-8-22(9-7-19)28-18-29(39)38-45(28,42)43)37-44(40,41)24-13-10-21(11-14-24)20-4-2-1-3-5-20/h1-15,17,27-28,37H,16,18H2,(H,35,36)(H,38,39)
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n/an/a 160n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189683
PNG
(CHEMBL211990 | N-{1-(1H-benzoimidazol-2-yl)-2-[4-(...)
Show SMILES Clc1ccccc1S(=O)(=O)NC(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C24H21ClN4O5S2/c25-17-5-1-4-8-21(17)35(31,32)28-20(24-26-18-6-2-3-7-19(18)27-24)13-15-9-11-16(12-10-15)22-14-23(30)29-36(22,33)34/h1-12,20,22,28H,13-14H2,(H,26,27)(H,29,30)
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n/an/a 160n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189667
PNG
(CHEMBL207645 | N-{1-(1H-benzoimidazol-2-yl)-2-[4-(...)
Show SMILES Clc1ccc(Cl)c(c1)S(=O)(=O)NC(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C24H20Cl2N4O5S2/c25-16-9-10-17(26)22(12-16)37(34,35)29-20(24-27-18-3-1-2-4-19(18)28-24)11-14-5-7-15(8-6-14)21-13-23(31)30-36(21,32)33/h1-10,12,20-21,29H,11,13H2,(H,27,28)(H,30,31)
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n/an/a 160n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189644
PNG
(CHEMBL209197 | N-{1-(1H-benzoimidazol-2-yl)-2-[4-(...)
Show SMILES Fc1cccc(F)c1S(=O)(=O)NC(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C24H20F2N4O5S2/c25-16-4-3-5-17(26)23(16)37(34,35)29-20(24-27-18-6-1-2-7-19(18)28-24)12-14-8-10-15(11-9-14)21-13-22(31)30-36(21,32)33/h1-11,20-21,29H,12-13H2,(H,27,28)(H,30,31)
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n/an/a 160n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189678
PNG
(CHEMBL209180 | N-{1-(1H-benzoimidazol-2-yl)-2-[4-(...)
Show SMILES Brc1ccccc1S(=O)(=O)NC(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C24H21BrN4O5S2/c25-17-5-1-4-8-21(17)35(31,32)28-20(24-26-18-6-2-3-7-19(18)27-24)13-15-9-11-16(12-10-15)22-14-23(30)29-36(22,33)34/h1-12,20,22,28H,13-14H2,(H,26,27)(H,29,30)
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n/an/a 170n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189689
PNG
(CHEMBL208982 | biphenyl-4-sulfonic acid {1-(4-meth...)
Show SMILES Cc1cccc2[nH]c(nc12)C(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)NS(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C31H28N4O5S2/c1-20-6-5-9-26-30(20)33-31(32-26)27(18-21-10-12-24(13-11-21)28-19-29(36)35-42(28,39)40)34-41(37,38)25-16-14-23(15-17-25)22-7-3-2-4-8-22/h2-17,27-28,34H,18-19H2,1H3,(H,32,33)(H,35,36)
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n/an/a 190n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM13465
PNG
((2S)-N-[(1S)-1-carbamoyl-2-{4-[(5S)-1,1,3-trioxo-1...)
Show SMILES CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)[C@@H]1CC(=O)NS1(=O)=O)C(N)=O
Show InChI InChI=1S/C23H26N4O6S/c1-14(28)25-19(12-15-5-3-2-4-6-15)23(31)26-18(22(24)30)11-16-7-9-17(10-8-16)20-13-21(29)27-34(20,32)33/h2-10,18-20H,11-13H2,1H3,(H2,24,30)(H,25,28)(H,26,31)(H,27,29)/t18-,19-,20-/m0/s1
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n/an/a 240n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189668
PNG
(CHEMBL208984 | N-{1-(1H-benzoimidazol-2-yl)-2-[4-(...)
Show SMILES Clc1cccc(c1Cl)S(=O)(=O)NC(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C24H20Cl2N4O5S2/c25-16-4-3-7-20(23(16)26)36(32,33)29-19(24-27-17-5-1-2-6-18(17)28-24)12-14-8-10-15(11-9-14)21-13-22(31)30-37(21,34)35/h1-11,19,21,29H,12-13H2,(H,27,28)(H,30,31)
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n/an/a 240n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189682
PNG
(CHEMBL377138 | biphenyl-4-sulfonic acid {1-(4-hydr...)
Show SMILES Oc1cccc2[nH]c(nc12)C(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)NS(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C30H26N4O6S2/c35-26-8-4-7-24-29(26)32-30(31-24)25(17-19-9-11-22(12-10-19)27-18-28(36)34-42(27,39)40)33-41(37,38)23-15-13-21(14-16-23)20-5-2-1-3-6-20/h1-16,25,27,33,35H,17-18H2,(H,31,32)(H,34,36)
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n/an/a 240n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189663
PNG
(CHEMBL378992 | N-{1-(1H-benzoimidazol-2-yl)-2-[4-(...)
Show SMILES Clc1ccc(c(Cl)c1)S(=O)(=O)NC(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C24H20Cl2N4O5S2/c25-16-9-10-21(17(26)12-16)36(32,33)29-20(24-27-18-3-1-2-4-19(18)28-24)11-14-5-7-15(8-6-14)22-13-23(31)30-37(22,34)35/h1-10,12,20,22,29H,11,13H2,(H,27,28)(H,30,31)
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n/an/a 280n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189685
PNG
(CHEMBL377476 | N-{1-(1H-benzoimidazol-2-yl)-2-[4-(...)
Show SMILES Cc1ccccc1S(=O)(=O)NC(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C25H24N4O5S2/c1-16-6-2-5-9-22(16)35(31,32)28-21(25-26-19-7-3-4-8-20(19)27-25)14-17-10-12-18(13-11-17)23-15-24(30)29-36(23,33)34/h2-13,21,23,28H,14-15H2,1H3,(H,26,27)(H,29,30)
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n/an/a 300n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189652
PNG
(CHEMBL212319 | N-{(1S)-1-(1H-benzimidazol-2-yl)-2-...)
Show SMILES Brc1cc(C[C@H](NS(=O)(=O)c2ccccc2)c2nc3ccccc3[nH]2)ccc1C1CC(=O)[N-]S1(=O)=O
Show InChI InChI=1S/C24H21BrN4O5S2/c25-18-12-15(10-11-17(18)22-14-23(30)29-36(22,33)34)13-21(24-26-19-8-4-5-9-20(19)27-24)28-35(31,32)16-6-2-1-3-7-16/h1-12,21-22,28H,13-14H2,(H2,26,27,29,30)/p-1/t21-,22?/m0/s1
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n/an/a 340n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189639
PNG
(CHEMBL211061 | biphenyl-4-sulfonic acid {1-(4-tert...)
Show SMILES CC(C)(C)c1cccc2[nH]c(nc12)C(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)NS(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C34H34N4O5S2/c1-34(2,3)27-10-7-11-28-32(27)36-33(35-28)29(20-22-12-14-25(15-13-22)30-21-31(39)38-45(30,42)43)37-44(40,41)26-18-16-24(17-19-26)23-8-5-4-6-9-23/h4-19,29-30,37H,20-21H2,1-3H3,(H,35,36)(H,38,39)
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n/an/a 460n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189661
PNG
(CHEMBL377613 | N-{1-(1H-benzoimidazol-2-yl)-2-[4-(...)
Show SMILES Clc1cccc(Cl)c1S(=O)(=O)NC(Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C24H20Cl2N4O5S2/c25-16-4-3-5-17(26)23(16)37(34,35)29-20(24-27-18-6-1-2-7-19(18)28-24)12-14-8-10-15(11-9-14)21-13-22(31)30-36(21,32)33/h1-11,20-21,29H,12-13H2,(H,27,28)(H,30,31)
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n/an/a 460n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50410985
PNG
(CHEMBL2113226)
Show SMILES CS(=O)(=O)N[C@@H](Cc1ccc(cc1)[C@@H]1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C19H20N4O5S2/c1-29(25,26)22-16(19-20-14-4-2-3-5-15(14)21-19)10-12-6-8-13(9-7-12)17-11-18(24)23-30(17,27)28/h2-9,16-17,22H,10-11H2,1H3,(H,20,21)(H,23,24)/t16-,17-/m0/s1
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n/an/a 590n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50410984
PNG
(CHEMBL2113225)
Show SMILES O=C(CCc1ccccc1)N[C@@H](Cc1ccc(cc1)[C@@H]1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C27H26N4O4S/c32-25(15-12-18-6-2-1-3-7-18)28-23(27-29-21-8-4-5-9-22(21)30-27)16-19-10-13-20(14-11-19)24-17-26(33)31-36(24,34)35/h1-11,13-14,23-24H,12,15-17H2,(H,28,32)(H,29,30)(H,31,33)/t23-,24-/m0/s1
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n/an/a 600n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189674
PNG
(CHEMBL377905 | N-(1S)-1-(1H-benzimidazol-2yl)-2-4-...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(cc1)[C@@H]1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C20H20N4O4S/c1-12(25)21-17(20-22-15-4-2-3-5-16(15)23-20)10-13-6-8-14(9-7-13)18-11-19(26)24-29(18,27)28/h2-9,17-18H,10-11H2,1H3,(H,21,25)(H,22,23)(H,24,26)/t17-,18-/m0/s1
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n/an/a 940n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50189664
PNG
(CHEMBL427034 | N-((1S)-1-(1H-benzimidazol-2-yl)-2-...)
Show SMILES Cc1cc(C[C@H](NS(=O)(=O)c2ccccc2)c2nc3ccccc3[nH]2)ccc1[C@H]1CC(=O)[N-]S1(=O)=O
Show InChI InChI=1S/C25H24N4O5S2/c1-16-13-17(11-12-19(16)23-15-24(30)29-36(23,33)34)14-22(25-26-20-9-5-6-10-21(20)27-25)28-35(31,32)18-7-3-2-4-8-18/h2-13,22-23,28H,14-15H2,1H3,(H2,26,27,29,30)/p-1/t22-,23+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Incyte Corporation

Curated by ChEMBL


Assay Description
Inhibition of PTP1B by pNPP assay


J Med Chem 49: 3774-89 (2006)


Article DOI: 10.1021/jm0600904
BindingDB Entry DOI: 10.7270/Q2JQ10M8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%