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13 molecules are shown

Wt: 534.4
BDBM13474
Wt: 412.4
BDBM13488
Wt: 462.4
BDBM13489
Wt: 524.5
BDBM13490
Wt: 440.5
BDBM13491
Wt: 502.5
BDBM13492
Wt: 559.6
BDBM14268
Wt: 571.5
BDBM14289
Wt: 600.7
BDBM50189646
Wt: 611.6
BDBM50189647
Wt: 578.5
BDBM50189655
Wt: 654.6
BDBM50189662
Wt: 412.4
BDBM50189674

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 13474,13488,13489,13490,13491,13492,14268,14289,50189646,50189647,50189655,50189662,50189674   
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
Protein-Tyrosine Phosphatase 1B (PTP1B)


(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/a7.022



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


Bioorg Med Chem Lett 17: 736-40 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.079
BindingDB Entry DOI: 10.7270/Q20R9MM4
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM14289
PNG
(5-{4-[(2S)-2-(1,3-benzothiazol-2-ylamino)-2-[5-(tr...)
Show SMILES FC(F)(F)c1ccc2nc([nH]c2c1)[C@H](Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)Nc1nc2ccccc2s1
Show InChI InChI=1S/C26H20F3N5O3S2/c27-26(28,29)16-9-10-17-19(12-16)31-24(30-17)20(33-25-32-18-3-1-2-4-21(18)38-25)11-14-5-7-15(8-6-14)22-13-23(35)34-39(22,36)37/h1-10,12,20,22H,11,13H2,(H,30,31)(H,32,33)(H,34,35)/t20-,22?/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


Bioorg Med Chem Lett 17: 736-40 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.079
BindingDB Entry DOI: 10.7270/Q20R9MM4
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM13474
PNG
(2,2,2-trifluoro-N-[(1S)-1-[5-(trifluoromethyl)-1H-...)
Show SMILES FC(F)(F)C(=O)N[C@@H](Cc1ccc(cc1)[C@@H]1CC(=O)NS1(=O)=O)c1nc2ccc(cc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C21H16F6N4O4S/c22-20(23,24)12-5-6-13-14(8-12)29-18(28-13)15(30-19(33)21(25,26)27)7-10-1-3-11(4-2-10)16-9-17(32)31-36(16,34)35/h1-6,8,15-16H,7,9H2,(H,28,29)(H,30,33)(H,31,32)/t15-,16-/m0/s1
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n/an/a 110n/an/an/an/a7.022



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


J Biol Chem 281: 38013-21 (2006)


Article DOI: 10.1074/jbc.M607913200
BindingDB Entry DOI: 10.7270/Q2JW8C4X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM13488
PNG
(Isothiazolidinone (IZD) deriv. 24 | N-[(1S)-1-(1H-...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(cc1)C1CC(=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 2.60E+3n/an/an/an/an/an/a



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


J Biol Chem 281: 38013-21 (2006)


Article DOI: 10.1074/jbc.M607913200
BindingDB Entry DOI: 10.7270/Q2JW8C4X
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM13489
PNG
(Isothiazolidinone (IZD) deriv. 25 | N-[(1S)-1-(1H-...)
Show SMILES CC(F)(F)C(=O)N[C@@H](Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C21H20F2N4O4S/c1-21(22,23)20(29)26-16(19-24-14-4-2-3-5-15(14)25-19)10-12-6-8-13(9-7-12)17-11-18(28)27-32(17,30)31/h2-9,16-17H,10-11H2,1H3,(H,24,25)(H,26,29)(H,27,28)/t16-,17?/m0/s1
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n/an/a 300n/an/an/an/an/an/a



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


J Biol Chem 281: 38013-21 (2006)


Article DOI: 10.1074/jbc.M607913200
BindingDB Entry DOI: 10.7270/Q2JW8C4X
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Protein-Tyrosine Phosphatase 1B (PTP1B)


(Homo sapiens (human))
BDBM13490
PNG
(Isothiazolidinone (IZD) deriv. 26 | N-[(1S)-1-(1H-...)
Show SMILES FC(F)(C(=O)N[C@@H](Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1)c1ccccc1
Show InChI InChI=1S/C26H22F2N4O4S/c27-26(28,18-6-2-1-3-7-18)25(34)31-21(24-29-19-8-4-5-9-20(19)30-24)14-16-10-12-17(13-11-16)22-15-23(33)32-37(22,35)36/h1-13,21-22H,14-15H2,(H,29,30)(H,31,34)(H,32,33)/t21-,22?/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


J Biol Chem 281: 38013-21 (2006)


Article DOI: 10.1074/jbc.M607913200
BindingDB Entry DOI: 10.7270/Q2JW8C4X
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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 (PTP1B)


(Homo sapiens (human))
BDBM13492
PNG
(Isothiazolidinone (IZD) deriv. 28 | N-[(1S)-1-(1H-...)
Show SMILES O=C(CCc1ccccc1)N[C@@H](Cc1ccc(cc1)C1CC(=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



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


J Biol Chem 281: 38013-21 (2006)


Article DOI: 10.1074/jbc.M607913200
BindingDB Entry DOI: 10.7270/Q2JW8C4X
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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))
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))
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))
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))
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 (PTP1B)


(Homo sapiens (human))
BDBM13491
PNG
(Isothiazolidinone (IZD) deriv. 27 | N-[(1S)-1-(1H-...)
Show SMILES CC(C)C(=O)N[C@@H](Cc1ccc(cc1)C1CC(=O)NS1(=O)=O)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C22H24N4O4S/c1-13(2)22(28)25-18(21-23-16-5-3-4-6-17(16)24-21)11-14-7-9-15(10-8-14)19-12-20(27)26-31(19,29)30/h3-10,13,18-19H,11-12H2,1-2H3,(H,23,24)(H,25,28)(H,26,27)/t18-,19?/m0/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



Incyte Corporation



Assay Description
The activity of PTP1B enzyme was assayed with 4-nitrophenyl phosphate (pNPP) as substrate. Rate of formation of the phenolate ion was monitored at 41...


J Biol Chem 281: 38013-21 (2006)


Article DOI: 10.1074/jbc.M607913200
BindingDB Entry DOI: 10.7270/Q2JW8C4X
More data for this
Ligand-Target Pair
3D
3D Structure (docked)