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312 molecules are shown

Wt: 546.7
BDBM50393486
Wt: 559.7
BDBM50393487
Wt: 573.7
BDBM50393488
Wt: 573.7
BDBM50393489
Wt: 559.7
BDBM50393490
Wt: 391.4
BDBM50393491
Wt: 358.8
BDBM50393492
Wt: 377.4
BDBM50393493
Wt: 375.4
BDBM50393498
Wt: 367.8
BDBM50393499
Wt: 353.4
BDBM50393500
Wt: 377.4
BDBM50393502
<<  First   |  Previous   |  Displayed 301 to 312 (of 312 total )

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 33 hits for monomerid = 50393486,50393487,50393488,50393489,50393490,50393491,50393492,50393493,50393498,50393499,50393500,50393502   
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
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50393486
PNG
(CHEMBL2159960)
Show SMILES CC(C)c1ccc(CN(Cc2ccccc2)C(c2nnnn2C2CCCC2)c2cc3ccc(C)cc3[nH]c2=O)cc1
Show InChI InChI=1S/C34H38N6O/c1-23(2)27-17-14-26(15-18-27)22-39(21-25-9-5-4-6-10-25)32(33-36-37-38-40(33)29-11-7-8-12-29)30-20-28-16-13-24(3)19-31(28)35-34(30)41/h4-6,9-10,13-20,23,29,32H,7-8,11-12,21-22H2,1-3H3,(H,35,41)
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n/an/a 7.62E+3n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of LYP expressed in Escherichia coli BL21 using pNPP substrate


J Med Chem 54: 1640-54 (2011)


Article DOI: 10.1021/jm101202j
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 12 (PTP-PEST)


(Homo sapiens (Human))
BDBM50393502
PNG
(CHEMBL2159929)
Show SMILES Cc1ccc2cc(C#N)c(SCC(=O)Nc3ccc4OCOc4c3)nc2c1
Show InChI InChI=1S/C20H15N3O3S/c1-12-2-3-13-7-14(9-21)20(23-16(13)6-12)27-10-19(24)22-15-4-5-17-18(8-15)26-11-25-17/h2-8H,10-11H2,1H3,(H,22,24)
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n/an/a 3.60E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of PTP-PEST expressed in Escherichia coli BL21 using pNPP substrate


J Med Chem 54: 1640-54 (2011)


Article DOI: 10.1021/jm101202j
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50393488
PNG
(CHEMBL2159962)
Show SMILES Cc1ccc2cc(C(N3CCN(CC3)C(c3ccccc3)c3ccccc3)c3nnnn3C3CCCC3)c(=O)[nH]c2c1C
Show InChI InChI=1S/C35H39N7O/c1-24-17-18-28-23-30(35(43)36-31(28)25(24)2)33(34-37-38-39-42(34)29-15-9-10-16-29)41-21-19-40(20-22-41)32(26-11-5-3-6-12-26)27-13-7-4-8-14-27/h3-8,11-14,17-18,23,29,32-33H,9-10,15-16,19-22H2,1-2H3,(H,36,43)
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n/an/a 9.13E+3n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of LYP expressed in Escherichia coli BL21 using pNPP substrate


J Med Chem 54: 1640-54 (2011)


Article DOI: 10.1021/jm101202j
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50393489
PNG
(CHEMBL2159963)
Show SMILES Cc1cc(C)c2[nH]c(=O)c(cc2c1)C(N1CCN(CC1)C(c1ccccc1)c1ccccc1)c1nnnn1C1CCCC1
Show InChI InChI=1S/C35H39N7O/c1-24-21-25(2)31-28(22-24)23-30(35(43)36-31)33(34-37-38-39-42(34)29-15-9-10-16-29)41-19-17-40(18-20-41)32(26-11-5-3-6-12-26)27-13-7-4-8-14-27/h3-8,11-14,21-23,29,32-33H,9-10,15-20H2,1-2H3,(H,36,43)
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n/an/a 9.72E+3n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of LYP expressed in Escherichia coli BL21 using pNPP substrate


J Med Chem 54: 1640-54 (2011)


Article DOI: 10.1021/jm101202j
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50393490
PNG
(CHEMBL2159964)
Show SMILES Cc1cccc2cc(C(N3CCN(CC3)C(c3ccccc3)c3ccccc3)c3nnnn3C3CCCC3)c(=O)[nH]c12
Show InChI InChI=1S/C34H37N7O/c1-24-11-10-16-27-23-29(34(42)35-30(24)27)32(33-36-37-38-41(33)28-17-8-9-18-28)40-21-19-39(20-22-40)31(25-12-4-2-5-13-25)26-14-6-3-7-15-26/h2-7,10-16,23,28,31-32H,8-9,17-22H2,1H3,(H,35,42)
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n/an/a 1.33E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of LYP expressed in Escherichia coli BL21 using pNPP substrate


J Med Chem 54: 1640-54 (2011)


Article DOI: 10.1021/jm101202j
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50393491
PNG
(CHEMBL2159932)
Show SMILES CCOc1ccc(NC(=O)CSc2nc3c(C)cc(C)cc3cc2C#N)cc1
Show InChI InChI=1S/C22H21N3O2S/c1-4-27-19-7-5-18(6-8-19)24-20(26)13-28-22-17(12-23)11-16-10-14(2)9-15(3)21(16)25-22/h5-11H,4,13H2,1-3H3,(H,24,26)
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n/an/a>9.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of LMPTP-A expressed in Escherichia coli BL21 using pNPP substrate


J Med Chem 54: 1640-54 (2011)


Article DOI: 10.1021/jm101202j
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50393492
PNG
(CHEMBL2159933)
Show SMILES Cc1ccc2sc(NC(=O)c3sc4ccccc4c3Cl)nc2c1
Show InChI InChI=1S/C17H11ClN2OS2/c1-9-6-7-13-11(8-9)19-17(23-13)20-16(21)15-14(18)10-4-2-3-5-12(10)22-15/h2-8H,1H3,(H,19,20,21)
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n/an/a>9.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of LMPTP-A expressed in Escherichia coli BL21 using pNPP substrate


J Med Chem 54: 1640-54 (2011)


Article DOI: 10.1021/jm101202j
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50393493
PNG
(CHEMBL2159934)
Show SMILES COc1ccc2cc(C#N)c(SCC(=O)Nc3cccc(C)c3C)nc2c1
Show InChI InChI=1S/C21H19N3O2S/c1-13-5-4-6-18(14(13)2)23-20(25)12-27-21-16(11-22)9-15-7-8-17(26-3)10-19(15)24-21/h4-10H,12H2,1-3H3,(H,23,25)
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n/an/a 6.09E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of LMPTP-A expressed in Escherichia coli BL21 using pNPP substrate


J Med Chem 54: 1640-54 (2011)


Article DOI: 10.1021/jm101202j
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 12 (PTP-PEST)


(Homo sapiens (Human))
BDBM50393498
PNG
(CHEMBL2159930)
Show SMILES Cc1ccc(NC(=O)CSc2nc3c(C)c(C)ccc3cc2C#N)cc1C
Show InChI InChI=1S/C22H21N3OS/c1-13-6-8-19(9-15(13)3)24-20(26)12-27-22-18(11-23)10-17-7-5-14(2)16(4)21(17)25-22/h5-10H,12H2,1-4H3,(H,24,26)
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n/an/a 2.75E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of PTP-PEST expressed in Escherichia coli BL21 using pNPP substrate


J Med Chem 54: 1640-54 (2011)


Article DOI: 10.1021/jm101202j
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 12 (PTP-PEST)


(Homo sapiens (Human))
BDBM50393499
PNG
(CHEMBL2159931)
Show SMILES Cc1cccc2cc(C#N)c(SCC(=O)Nc3cccc(Cl)c3)nc12
Show InChI InChI=1S/C19H14ClN3OS/c1-12-4-2-5-13-8-14(10-21)19(23-18(12)13)25-11-17(24)22-16-7-3-6-15(20)9-16/h2-9H,11H2,1H3,(H,22,24)
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n/an/a 2.80E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of PTP-PEST expressed in Escherichia coli BL21 using pNPP substrate


J Med Chem 54: 1640-54 (2011)


Article DOI: 10.1021/jm101202j
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 12 (PTP-PEST)


(Homo sapiens (Human))
BDBM50393491
PNG
(CHEMBL2159932)
Show SMILES CCOc1ccc(NC(=O)CSc2nc3c(C)cc(C)cc3cc2C#N)cc1
Show InChI InChI=1S/C22H21N3O2S/c1-4-27-19-7-5-18(6-8-19)24-20(26)13-28-22-17(12-23)11-16-10-14(2)9-15(3)21(16)25-22/h5-11H,4,13H2,1-3H3,(H,24,26)
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n/an/a 1.60E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of PTP-PEST expressed in Escherichia coli BL21 using pNPP substrate


J Med Chem 54: 1640-54 (2011)


Article DOI: 10.1021/jm101202j
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 12 (PTP-PEST)


(Homo sapiens (Human))
BDBM50393492
PNG
(CHEMBL2159933)
Show SMILES Cc1ccc2sc(NC(=O)c3sc4ccccc4c3Cl)nc2c1
Show InChI InChI=1S/C17H11ClN2OS2/c1-9-6-7-13-11(8-9)19-17(23-13)20-16(21)15-14(18)10-4-2-3-5-12(10)22-15/h2-8H,1H3,(H,19,20,21)
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n/an/a 1.40E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of PTP-PEST expressed in Escherichia coli BL21 using pNPP substrate


J Med Chem 54: 1640-54 (2011)


Article DOI: 10.1021/jm101202j
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 12 (PTP-PEST)


(Homo sapiens (Human))
BDBM50393493
PNG
(CHEMBL2159934)
Show SMILES COc1ccc2cc(C#N)c(SCC(=O)Nc3cccc(C)c3C)nc2c1
Show InChI InChI=1S/C21H19N3O2S/c1-13-5-4-6-18(14(13)2)23-20(25)12-27-21-16(11-22)9-15-7-8-17(26-3)10-19(15)24-21/h4-10H,12H2,1-3H3,(H,23,25)
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n/an/a 1.80E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of PTP-PEST expressed in Escherichia coli BL21 using pNPP substrate


J Med Chem 54: 1640-54 (2011)


Article DOI: 10.1021/jm101202j
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM50393500
PNG
(CHEMBL2159726)
Show SMILES Cc1ccc2cc(C#N)c(SCC(=O)NC3CCCCC3)nc2c1C
Show InChI InChI=1S/C20H23N3OS/c1-13-8-9-15-10-16(11-21)20(23-19(15)14(13)2)25-12-18(24)22-17-6-4-3-5-7-17/h8-10,17H,3-7,12H2,1-2H3,(H,22,24)
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n/an/a 8.00E+3n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HePTP expressed in Escherichia coli BL21 using pNPP substrate


J Med Chem 54: 1640-54 (2011)


Article DOI: 10.1021/jm101202j
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM50393502
PNG
(CHEMBL2159929)
Show SMILES Cc1ccc2cc(C#N)c(SCC(=O)Nc3ccc4OCOc4c3)nc2c1
Show InChI InChI=1S/C20H15N3O3S/c1-12-2-3-13-7-14(9-21)20(23-16(13)6-12)27-10-19(24)22-15-4-5-17-18(8-15)26-11-25-17/h2-8H,10-11H2,1H3,(H,22,24)
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HePTP expressed in Escherichia coli BL21 using pNPP substrate


J Med Chem 54: 1640-54 (2011)


Article DOI: 10.1021/jm101202j
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM50393498
PNG
(CHEMBL2159930)
Show SMILES Cc1ccc(NC(=O)CSc2nc3c(C)c(C)ccc3cc2C#N)cc1C
Show InChI InChI=1S/C22H21N3OS/c1-13-6-8-19(9-15(13)3)24-20(26)12-27-22-18(11-23)10-17-7-5-14(2)16(4)21(17)25-22/h5-10H,12H2,1-4H3,(H,24,26)
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HePTP expressed in Escherichia coli BL21 using pNPP substrate


J Med Chem 54: 1640-54 (2011)


Article DOI: 10.1021/jm101202j
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM50393499
PNG
(CHEMBL2159931)
Show SMILES Cc1cccc2cc(C#N)c(SCC(=O)Nc3cccc(Cl)c3)nc12
Show InChI InChI=1S/C19H14ClN3OS/c1-12-4-2-5-13-8-14(10-21)19(23-18(12)13)25-11-17(24)22-16-7-3-6-15(20)9-16/h2-9H,11H2,1H3,(H,22,24)
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n/an/a 2.20E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HePTP expressed in Escherichia coli BL21 using pNPP substrate


J Med Chem 54: 1640-54 (2011)


Article DOI: 10.1021/jm101202j
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM50393491
PNG
(CHEMBL2159932)
Show SMILES CCOc1ccc(NC(=O)CSc2nc3c(C)cc(C)cc3cc2C#N)cc1
Show InChI InChI=1S/C22H21N3O2S/c1-4-27-19-7-5-18(6-8-19)24-20(26)13-28-22-17(12-23)11-16-10-14(2)9-15(3)21(16)25-22/h5-11H,4,13H2,1-3H3,(H,24,26)
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n/an/a 1.60E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HePTP expressed in Escherichia coli BL21 using pNPP substrate


J Med Chem 54: 1640-54 (2011)


Article DOI: 10.1021/jm101202j
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM50393492
PNG
(CHEMBL2159933)
Show SMILES Cc1ccc2sc(NC(=O)c3sc4ccccc4c3Cl)nc2c1
Show InChI InChI=1S/C17H11ClN2OS2/c1-9-6-7-13-11(8-9)19-17(23-13)20-16(21)15-14(18)10-4-2-3-5-12(10)22-15/h2-8H,1H3,(H,19,20,21)
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n/an/a 8.00E+3n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HePTP expressed in Escherichia coli BL21 using pNPP substrate


J Med Chem 54: 1640-54 (2011)


Article DOI: 10.1021/jm101202j
More data for this
Ligand-Target Pair
Hematopoietic protein-tyrosine phosphatase (HEPTP)


(Homo sapiens (Human))
BDBM50393493
PNG
(CHEMBL2159934)
Show SMILES COc1ccc2cc(C#N)c(SCC(=O)Nc3cccc(C)c3C)nc2c1
Show InChI InChI=1S/C21H19N3O2S/c1-13-5-4-6-18(14(13)2)23-20(25)12-27-21-16(11-22)9-15-7-8-17(26-3)10-19(15)24-21/h4-10H,12H2,1-3H3,(H,23,25)
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n/an/a 1.50E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HePTP expressed in Escherichia coli BL21 using pNPP substrate


J Med Chem 54: 1640-54 (2011)


Article DOI: 10.1021/jm101202j
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50393500
PNG
(CHEMBL2159726)
Show SMILES Cc1ccc2cc(C#N)c(SCC(=O)NC3CCCCC3)nc2c1C
Show InChI InChI=1S/C20H23N3OS/c1-13-8-9-15-10-16(11-21)20(23-19(15)14(13)2)25-12-18(24)22-17-6-4-3-5-7-17/h8-10,17H,3-7,12H2,1-2H3,(H,22,24)
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n/an/a 4.53E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of LMPTP-A expressed in Escherichia coli BL21 using pNPP substrate


J Med Chem 54: 1640-54 (2011)


Article DOI: 10.1021/jm101202j
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50393502
PNG
(CHEMBL2159929)
Show SMILES Cc1ccc2cc(C#N)c(SCC(=O)Nc3ccc4OCOc4c3)nc2c1
Show InChI InChI=1S/C20H15N3O3S/c1-12-2-3-13-7-14(9-21)20(23-16(13)6-12)27-10-19(24)22-15-4-5-17-18(8-15)26-11-25-17/h2-8H,10-11H2,1H3,(H,22,24)
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n/an/a>9.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of LMPTP-A expressed in Escherichia coli BL21 using pNPP substrate


J Med Chem 54: 1640-54 (2011)


Article DOI: 10.1021/jm101202j
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50393498
PNG
(CHEMBL2159930)
Show SMILES Cc1ccc(NC(=O)CSc2nc3c(C)c(C)ccc3cc2C#N)cc1C
Show InChI InChI=1S/C22H21N3OS/c1-13-6-8-19(9-15(13)3)24-20(26)12-27-22-18(11-23)10-17-7-5-14(2)16(4)21(17)25-22/h5-10H,12H2,1-4H3,(H,24,26)
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n/an/a 5.33E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of LMPTP-A expressed in Escherichia coli BL21 using pNPP substrate


J Med Chem 54: 1640-54 (2011)


Article DOI: 10.1021/jm101202j
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase (LMWPTP)


(Homo sapiens (Human))
BDBM50393499
PNG
(CHEMBL2159931)
Show SMILES Cc1cccc2cc(C#N)c(SCC(=O)Nc3cccc(Cl)c3)nc12
Show InChI InChI=1S/C19H14ClN3OS/c1-12-4-2-5-13-8-14(10-21)19(23-18(12)13)25-11-17(24)22-16-7-3-6-15(20)9-16/h2-9H,11H2,1H3,(H,22,24)
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n/an/a>9.00E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of LMPTP-A expressed in Escherichia coli BL21 using pNPP substrate


J Med Chem 54: 1640-54 (2011)


Article DOI: 10.1021/jm101202j
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50393500
PNG
(CHEMBL2159726)
Show SMILES Cc1ccc2cc(C#N)c(SCC(=O)NC3CCCCC3)nc2c1C
Show InChI InChI=1S/C20H23N3OS/c1-13-8-9-15-10-16(11-21)20(23-19(15)14(13)2)25-12-18(24)22-17-6-4-3-5-7-17/h8-10,17H,3-7,12H2,1-2H3,(H,22,24)
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n/an/a 1.98E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of LYP expressed in Escherichia coli BL21 using pNPP substrate


J Med Chem 54: 1640-54 (2011)


Article DOI: 10.1021/jm101202j
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50393502
PNG
(CHEMBL2159929)
Show SMILES Cc1ccc2cc(C#N)c(SCC(=O)Nc3ccc4OCOc4c3)nc2c1
Show InChI InChI=1S/C20H15N3O3S/c1-12-2-3-13-7-14(9-21)20(23-16(13)6-12)27-10-19(24)22-15-4-5-17-18(8-15)26-11-25-17/h2-8H,10-11H2,1H3,(H,22,24)
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n/an/a 2.33E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of LYP expressed in Escherichia coli BL21 using pNPP substrate


J Med Chem 54: 1640-54 (2011)


Article DOI: 10.1021/jm101202j
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50393498
PNG
(CHEMBL2159930)
Show SMILES Cc1ccc(NC(=O)CSc2nc3c(C)c(C)ccc3cc2C#N)cc1C
Show InChI InChI=1S/C22H21N3OS/c1-13-6-8-19(9-15(13)3)24-20(26)12-27-22-18(11-23)10-17-7-5-14(2)16(4)21(17)25-22/h5-10H,12H2,1-4H3,(H,24,26)
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n/an/a 2.66E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of LYP expressed in Escherichia coli BL21 using pNPP substrate


J Med Chem 54: 1640-54 (2011)


Article DOI: 10.1021/jm101202j
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50393499
PNG
(CHEMBL2159931)
Show SMILES Cc1cccc2cc(C#N)c(SCC(=O)Nc3cccc(Cl)c3)nc12
Show InChI InChI=1S/C19H14ClN3OS/c1-12-4-2-5-13-8-14(10-21)19(23-18(12)13)25-11-17(24)22-16-7-3-6-15(20)9-16/h2-9H,11H2,1H3,(H,22,24)
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n/an/a 2.72E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of LYP expressed in Escherichia coli BL21 using pNPP substrate


J Med Chem 54: 1640-54 (2011)


Article DOI: 10.1021/jm101202j
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50393491
PNG
(CHEMBL2159932)
Show SMILES CCOc1ccc(NC(=O)CSc2nc3c(C)cc(C)cc3cc2C#N)cc1
Show InChI InChI=1S/C22H21N3O2S/c1-4-27-19-7-5-18(6-8-19)24-20(26)13-28-22-17(12-23)11-16-10-14(2)9-15(3)21(16)25-22/h5-11H,4,13H2,1-3H3,(H,24,26)
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n/an/a 2.81E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of LYP expressed in Escherichia coli BL21 using pNPP substrate


J Med Chem 54: 1640-54 (2011)


Article DOI: 10.1021/jm101202j
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50393492
PNG
(CHEMBL2159933)
Show SMILES Cc1ccc2sc(NC(=O)c3sc4ccccc4c3Cl)nc2c1
Show InChI InChI=1S/C17H11ClN2OS2/c1-9-6-7-13-11(8-9)19-17(23-13)20-16(21)15-14(18)10-4-2-3-5-12(10)22-15/h2-8H,1H3,(H,19,20,21)
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n/an/a 2.95E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of LYP expressed in Escherichia coli BL21 using pNPP substrate


J Med Chem 54: 1640-54 (2011)


Article DOI: 10.1021/jm101202j
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50393493
PNG
(CHEMBL2159934)
Show SMILES COc1ccc2cc(C#N)c(SCC(=O)Nc3cccc(C)c3C)nc2c1
Show InChI InChI=1S/C21H19N3O2S/c1-13-5-4-6-18(14(13)2)23-20(25)12-27-21-16(11-22)9-15-7-8-17(26-3)10-19(15)24-21/h4-10H,12H2,1-3H3,(H,23,25)
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n/an/a 3.05E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of LYP expressed in Escherichia coli BL21 using pNPP substrate


J Med Chem 54: 1640-54 (2011)


Article DOI: 10.1021/jm101202j
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 12 (PTP-PEST)


(Homo sapiens (Human))
BDBM50393500
PNG
(CHEMBL2159726)
Show SMILES Cc1ccc2cc(C#N)c(SCC(=O)NC3CCCCC3)nc2c1C
Show InChI InChI=1S/C20H23N3OS/c1-13-8-9-15-10-16(11-21)20(23-19(15)14(13)2)25-12-18(24)22-17-6-4-3-5-7-17/h8-10,17H,3-7,12H2,1-2H3,(H,22,24)
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n/an/a 2.10E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of PTP-PEST expressed in Escherichia coli BL21 using pNPP substrate


J Med Chem 54: 1640-54 (2011)


Article DOI: 10.1021/jm101202j
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50393487
PNG
(CHEMBL2159961)
Show SMILES Cc1ccc2cc(C(N3CCN(CC3)C(c3ccccc3)c3ccccc3)c3nnnn3C3CCCC3)c(=O)[nH]c2c1
Show InChI InChI=1S/C34H37N7O/c1-24-16-17-27-23-29(34(42)35-30(27)22-24)32(33-36-37-38-41(33)28-14-8-9-15-28)40-20-18-39(19-21-40)31(25-10-4-2-5-11-25)26-12-6-3-7-13-26/h2-7,10-13,16-17,22-23,28,31-32H,8-9,14-15,18-21H2,1H3,(H,35,42)
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n/an/a 7.86E+3n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of LYP expressed in Escherichia coli BL21 using pNPP substrate


J Med Chem 54: 1640-54 (2011)


Article DOI: 10.1021/jm101202j
More data for this
Ligand-Target Pair