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Compile Data Set for Download or QSAR

Found 106 hits with Last Name = 'woods' and Initial = 'vl'   
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
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50393461
PNG
(CHEMBL2159938)
Show SMILES CC(C)c1ccc(CN(Cc2ccccc2)C(c2nnnn2C2CCCC2)c2cc3cc(C)ccc3[nH]c2=O)cc1
Show InChI InChI=1S/C34H38N6O/c1-23(2)27-16-14-26(15-17-27)22-39(21-25-9-5-4-6-10-25)32(33-36-37-38-40(33)29-11-7-8-12-29)30-20-28-19-24(3)13-18-31(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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2.16E+3n/an/an/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of LYP expressed in Escherichia coli BL21 using increasing levels of ARLIED-NEpYTAREG substrate


J Med Chem 54: 1640-54 (2011)


Article DOI: 10.1021/jm101202j
BindingDB Entry DOI: 10.7270/Q2RN38Z0
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50393496
PNG
(CHEMBL2159935)
Show SMILES Cc1ccc2[nH]c(=O)c(cc2c1)C(N1CCCC2(CCCCC2)C1)c1nnnn1C1CCCO1
Show InChI InChI=1S/C26H34N6O2/c1-18-8-9-21-19(15-18)16-20(25(33)27-21)23(24-28-29-30-32(24)22-7-5-14-34-22)31-13-6-12-26(17-31)10-3-2-4-11-26/h8-9,15-16,22-23H,2-7,10-14,17H2,1H3,(H,27,33)
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3.07E+3n/an/an/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of LYP expressed in Escherichia coli BL21 using increasing levels of ARLIED-NEpYTAREG substrate


J Med Chem 54: 1640-54 (2011)


Article DOI: 10.1021/jm101202j
BindingDB Entry DOI: 10.7270/Q2RN38Z0
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50393463
PNG
(CHEMBL2159940)
Show SMILES Cc1ccc2[nH]c(=O)c(cc2c1)C(N(Cc1ccccc1)Cc1ccc(Cl)cc1)c1nnnn1C1CCCC1
Show InChI InChI=1S/C31H31ClN6O/c1-21-11-16-28-24(17-21)18-27(31(39)33-28)29(30-34-35-36-38(30)26-9-5-6-10-26)37(19-22-7-3-2-4-8-22)20-23-12-14-25(32)15-13-23/h2-4,7-8,11-18,26,29H,5-6,9-10,19-20H2,1H3,(H,33,39)
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8.07E+3n/an/an/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of LYP expressed in Escherichia coli BL21 using increasing levels of ARLIED-NEpYTAREG substrate


J Med Chem 54: 1640-54 (2011)


Article DOI: 10.1021/jm101202j
BindingDB Entry DOI: 10.7270/Q2RN38Z0
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50393461
PNG
(CHEMBL2159938)
Show SMILES CC(C)c1ccc(CN(Cc2ccccc2)C(c2nnnn2C2CCCC2)c2cc3cc(C)ccc3[nH]c2=O)cc1
Show InChI InChI=1S/C34H38N6O/c1-23(2)27-16-14-26(15-17-27)22-39(21-25-9-5-4-6-10-25)32(33-36-37-38-40(33)29-11-7-8-12-29)30-20-28-19-24(3)13-18-31(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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1.07E+4n/an/an/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of LYP expressed in Escherichia coli BL21 using increasing levels of ARLIED-NEpYTAREG substrate


J Med Chem 54: 1640-54 (2011)


Article DOI: 10.1021/jm101202j
BindingDB Entry DOI: 10.7270/Q2RN38Z0
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50393462
PNG
(CHEMBL2159939)
Show SMILES Cc1ccc2[nH]c(=O)c(cc2c1)C(N1CCN(CC1)C(c1ccccc1)c1ccccc1)c1nnnn1C1CCCC1
Show InChI InChI=1S/C34H37N7O/c1-24-16-17-30-27(22-24)23-29(34(42)35-30)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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1.10E+4n/an/an/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of LYP expressed in Escherichia coli BL21 using increasing levels of ARLIED-NEpYTAREG substrate


J Med Chem 54: 1640-54 (2011)


Article DOI: 10.1021/jm101202j
BindingDB Entry DOI: 10.7270/Q2RN38Z0
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM46264
PNG
(3-[2-azaspiro[5.5]undecan-2-yl-(1-cyclopentyl-1,2,...)
Show SMILES Cc1ccc2[nH]c(=O)c(cc2c1)C(N1CCCC2(CCCCC2)C1)c1nnnn1C1CCCC1
Show InChI InChI=1S/C27H36N6O/c1-19-10-11-23-20(16-19)17-22(26(34)28-23)24(25-29-30-31-33(25)21-8-3-4-9-21)32-15-7-14-27(18-32)12-5-2-6-13-27/h10-11,16-17,21,24H,2-9,12-15,18H2,1H3,(H,28,34)
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1.25E+4n/an/an/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of LYP expressed in Escherichia coli BL21 using increasing levels of ARLIED-NEpYTAREG substrate


J Med Chem 54: 1640-54 (2011)


Article DOI: 10.1021/jm101202j
BindingDB Entry DOI: 10.7270/Q2RN38Z0
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50393496
PNG
(CHEMBL2159935)
Show SMILES Cc1ccc2[nH]c(=O)c(cc2c1)C(N1CCCC2(CCCCC2)C1)c1nnnn1C1CCCO1
Show InChI InChI=1S/C26H34N6O2/c1-18-8-9-21-19(15-18)16-20(25(33)27-21)23(24-28-29-30-32(24)22-7-5-14-34-22)31-13-6-12-26(17-31)10-3-2-4-11-26/h8-9,15-16,22-23H,2-7,10-14,17H2,1H3,(H,27,33)
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1.76E+4n/an/an/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of LYP expressed in Escherichia coli BL21 using increasing levels of ARLIED-NEpYTAREG substrate


J Med Chem 54: 1640-54 (2011)


Article DOI: 10.1021/jm101202j
BindingDB Entry DOI: 10.7270/Q2RN38Z0
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50393462
PNG
(CHEMBL2159939)
Show SMILES Cc1ccc2[nH]c(=O)c(cc2c1)C(N1CCN(CC1)C(c1ccccc1)c1ccccc1)c1nnnn1C1CCCC1
Show InChI InChI=1S/C34H37N7O/c1-24-16-17-30-27(22-24)23-29(34(42)35-30)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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2.13E+4n/an/an/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of LYP expressed in Escherichia coli BL21 using increasing levels of ARLIED-NEpYTAREG substrate


J Med Chem 54: 1640-54 (2011)


Article DOI: 10.1021/jm101202j
BindingDB Entry DOI: 10.7270/Q2RN38Z0
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50393463
PNG
(CHEMBL2159940)
Show SMILES Cc1ccc2[nH]c(=O)c(cc2c1)C(N(Cc1ccccc1)Cc1ccc(Cl)cc1)c1nnnn1C1CCCC1
Show InChI InChI=1S/C31H31ClN6O/c1-21-11-16-28-24(17-21)18-27(31(39)33-28)29(30-34-35-36-38(30)26-9-5-6-10-26)37(19-22-7-3-2-4-8-22)20-23-12-14-25(32)15-13-23/h2-4,7-8,11-18,26,29H,5-6,9-10,19-20H2,1H3,(H,33,39)
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2.39E+4n/an/an/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of LYP expressed in Escherichia coli BL21 using increasing levels of ARLIED-NEpYTAREG substrate


J Med Chem 54: 1640-54 (2011)


Article DOI: 10.1021/jm101202j
BindingDB Entry DOI: 10.7270/Q2RN38Z0
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50335895
PNG
(6-hydroxy-3-(1-(4-(naphthalen-1-ylamino)-4-oxobuty...)
Show SMILES OC(=O)c1cc2c(-c3cn(CCCC(=O)Nc4cccc5ccccc45)nn3)c(oc2cc1O)-c1ccccc1
Show InChI InChI=1S/C31H24N4O5/c36-26-17-27-23(16-22(26)31(38)39)29(30(40-27)20-9-2-1-3-10-20)25-18-35(34-33-25)15-7-14-28(37)32-24-13-6-11-19-8-4-5-12-21(19)24/h1-6,8-13,16-18,36H,7,14-15H2,(H,32,37)(H,38,39)
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3.39E+4n/an/an/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of LYP expressed in Escherichia coli BL21 using increasing levels of ARLIED-NEpYTAREG substrate


J Med Chem 54: 1640-54 (2011)


Article DOI: 10.1021/jm101202j
BindingDB Entry DOI: 10.7270/Q2RN38Z0
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM46264
PNG
(3-[2-azaspiro[5.5]undecan-2-yl-(1-cyclopentyl-1,2,...)
Show SMILES Cc1ccc2[nH]c(=O)c(cc2c1)C(N1CCCC2(CCCCC2)C1)c1nnnn1C1CCCC1
Show InChI InChI=1S/C27H36N6O/c1-19-10-11-23-20(16-19)17-22(26(34)28-23)24(25-29-30-31-33(25)21-8-3-4-9-21)32-15-7-14-27(18-32)12-5-2-6-13-27/h10-11,16-17,21,24H,2-9,12-15,18H2,1H3,(H,28,34)
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3.81E+4n/an/an/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of LYP expressed in Escherichia coli BL21 using increasing levels of ARLIED-NEpYTAREG substrate


J Med Chem 54: 1640-54 (2011)


Article DOI: 10.1021/jm101202j
BindingDB Entry DOI: 10.7270/Q2RN38Z0
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50393461
PNG
(CHEMBL2159938)
Show SMILES CC(C)c1ccc(CN(Cc2ccccc2)C(c2nnnn2C2CCCC2)c2cc3cc(C)ccc3[nH]c2=O)cc1
Show InChI InChI=1S/C34H38N6O/c1-23(2)27-16-14-26(15-17-27)22-39(21-25-9-5-4-6-10-25)32(33-36-37-38-40(33)29-11-7-8-12-29)30-20-28-19-24(3)13-18-31(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 5.28E+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
BindingDB Entry DOI: 10.7270/Q2RN38Z0
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM54792
PNG
(2-(3-cyano-5,8-dimethyl-quinolin-2-yl)sulfanyl-N-(...)
Show SMILES CCc1cccc(C)c1NC(=O)CSc1nc2c(C)ccc(C)c2cc1C#N
Show InChI InChI=1S/C23H23N3OS/c1-5-17-8-6-7-15(3)21(17)25-20(27)13-28-23-18(12-24)11-19-14(2)9-10-16(4)22(19)26-23/h6-11H,5,13H2,1-4H3,(H,25,27)
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n/an/a 5.40E+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 ARLIED-NEpYTAREG substrate


J Med Chem 54: 1640-54 (2011)


Article DOI: 10.1021/jm101202j
BindingDB Entry DOI: 10.7270/Q2RN38Z0
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50393496
PNG
(CHEMBL2159935)
Show SMILES Cc1ccc2[nH]c(=O)c(cc2c1)C(N1CCCC2(CCCCC2)C1)c1nnnn1C1CCCO1
Show InChI InChI=1S/C26H34N6O2/c1-18-8-9-21-19(15-18)16-20(25(33)27-21)23(24-28-29-30-32(24)22-7-5-14-34-22)31-13-6-12-26(17-31)10-3-2-4-11-26/h8-9,15-16,22-23H,2-7,10-14,17H2,1H3,(H,27,33)
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n/an/a 5.58E+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
BindingDB Entry DOI: 10.7270/Q2RN38Z0
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50393495
PNG
(CHEMBL2159725)
Show SMILES CCOc1ccc2nc(NC(=O)CSc3nc4sc(C)c(C)c4c(=O)[nH]3)sc2c1
Show InChI InChI=1S/C19H18N4O3S3/c1-4-26-11-5-6-12-13(7-11)29-19(20-12)21-14(24)8-27-18-22-16(25)15-9(2)10(3)28-17(15)23-18/h5-7H,4,8H2,1-3H3,(H,20,21,24)(H,22,23,25)
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n/an/a 6.20E+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 ARLIED-NEpYTAREG substrate


J Med Chem 54: 1640-54 (2011)


Article DOI: 10.1021/jm101202j
BindingDB Entry DOI: 10.7270/Q2RN38Z0
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50393462
PNG
(CHEMBL2159939)
Show SMILES Cc1ccc2[nH]c(=O)c(cc2c1)C(N1CCN(CC1)C(c1ccccc1)c1ccccc1)c1nnnn1C1CCCC1
Show InChI InChI=1S/C34H37N7O/c1-24-16-17-30-27(22-24)23-29(34(42)35-30)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 6.31E+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
BindingDB Entry DOI: 10.7270/Q2RN38Z0
More data for this
Ligand-Target Pair
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
BindingDB Entry DOI: 10.7270/Q2RN38Z0
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
BindingDB Entry DOI: 10.7270/Q2RN38Z0
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 7


(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
BindingDB Entry DOI: 10.7270/Q2RN38Z0
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 7


(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
BindingDB Entry DOI: 10.7270/Q2RN38Z0
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 7


(Homo sapiens (Human))
BDBM50393495
PNG
(CHEMBL2159725)
Show SMILES CCOc1ccc2nc(NC(=O)CSc3nc4sc(C)c(C)c4c(=O)[nH]3)sc2c1
Show InChI InChI=1S/C19H18N4O3S3/c1-4-26-11-5-6-12-13(7-11)29-19(20-12)21-14(24)8-27-18-22-16(25)15-9(2)10(3)28-17(15)23-18/h5-7H,4,8H2,1-3H3,(H,20,21,24)(H,22,23,25)
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n/an/a 9.00E+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
BindingDB Entry DOI: 10.7270/Q2RN38Z0
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
BindingDB Entry DOI: 10.7270/Q2RN38Z0
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50393463
PNG
(CHEMBL2159940)
Show SMILES Cc1ccc2[nH]c(=O)c(cc2c1)C(N(Cc1ccccc1)Cc1ccc(Cl)cc1)c1nnnn1C1CCCC1
Show InChI InChI=1S/C31H31ClN6O/c1-21-11-16-28-24(17-21)18-27(31(39)33-28)29(30-34-35-36-38(30)26-9-5-6-10-26)37(19-22-7-3-2-4-8-22)20-23-12-14-25(32)15-13-23/h2-4,7-8,11-18,26,29H,5-6,9-10,19-20H2,1H3,(H,33,39)
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n/an/a 9.19E+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
BindingDB Entry DOI: 10.7270/Q2RN38Z0
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
BindingDB Entry DOI: 10.7270/Q2RN38Z0
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM46265
PNG
(2-[(2-cyclopropyl-5,6,7,8-tetrahydrobenzothiopheno...)
Show SMILES O=C(CSc1nc(nc2sc3CCCCc3c12)C1CC1)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C23H23N3O3S2/c27-19(24-10-13-5-8-16-17(9-13)29-12-28-16)11-30-22-20-15-3-1-2-4-18(15)31-23(20)26-21(25-22)14-6-7-14/h5,8-9,14H,1-4,6-7,10-12H2,(H,24,27)
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n/an/a 9.90E+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 ARLIED-NEpYTAREG substrate


J Med Chem 54: 1640-54 (2011)


Article DOI: 10.1021/jm101202j
BindingDB Entry DOI: 10.7270/Q2RN38Z0
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 7


(Homo sapiens (Human))
BDBM54792
PNG
(2-(3-cyano-5,8-dimethyl-quinolin-2-yl)sulfanyl-N-(...)
Show SMILES CCc1cccc(C)c1NC(=O)CSc1nc2c(C)ccc(C)c2cc1C#N
Show InChI InChI=1S/C23H23N3OS/c1-5-17-8-6-7-15(3)21(17)25-20(27)13-28-23-18(12-24)11-19-14(2)9-10-16(4)22(19)26-23/h6-11H,5,13H2,1-4H3,(H,25,27)
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n/an/a 1.00E+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
BindingDB Entry DOI: 10.7270/Q2RN38Z0
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase C


(Homo sapiens (Human))
BDBM54792
PNG
(2-(3-cyano-5,8-dimethyl-quinolin-2-yl)sulfanyl-N-(...)
Show SMILES CCc1cccc(C)c1NC(=O)CSc1nc2c(C)ccc(C)c2cc1C#N
Show InChI InChI=1S/C23H23N3OS/c1-5-17-8-6-7-15(3)21(17)25-20(27)13-28-23-18(12-24)11-19-14(2)9-10-16(4)22(19)26-23/h6-11H,5,13H2,1-4H3,(H,25,27)
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of CD45


J Med Chem 54: 1640-54 (2011)


Article DOI: 10.1021/jm101202j
BindingDB Entry DOI: 10.7270/Q2RN38Z0
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50393480
PNG
(CHEMBL2159955)
Show SMILES Cc1cc(C)c2cc(C(N3CCCC4(CCCCC4)C3)c3nnnn3C3CCCC3)c(=O)[nH]c2c1
Show InChI InChI=1S/C28H38N6O/c1-19-15-20(2)22-17-23(27(35)29-24(22)16-19)25(26-30-31-32-34(26)21-9-4-5-10-21)33-14-8-13-28(18-33)11-6-3-7-12-28/h15-17,21,25H,3-14,18H2,1-2H3,(H,29,35)
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n/an/a 1.11E+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
BindingDB Entry DOI: 10.7270/Q2RN38Z0
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50393497
PNG
(CHEMBL2159936)
Show SMILES Cc1ccc2[nH]c(=O)c(cc2c1)C(N1CCCC2(CCCCC2)C1)c1nnnn1-c1ccccc1
Show InChI InChI=1S/C28H32N6O/c1-20-11-12-24-21(17-20)18-23(27(35)29-24)25(26-30-31-32-34(26)22-9-4-2-5-10-22)33-16-8-15-28(19-33)13-6-3-7-14-28/h2,4-5,9-12,17-18,25H,3,6-8,13-16,19H2,1H3,(H,29,35)
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n/an/a 1.12E+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
BindingDB Entry DOI: 10.7270/Q2RN38Z0
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50393495
PNG
(CHEMBL2159725)
Show SMILES CCOc1ccc2nc(NC(=O)CSc3nc4sc(C)c(C)c4c(=O)[nH]3)sc2c1
Show InChI InChI=1S/C19H18N4O3S3/c1-4-26-11-5-6-12-13(7-11)29-19(20-12)21-14(24)8-27-18-22-16(25)15-9(2)10(3)28-17(15)23-18/h5-7H,4,8H2,1-3H3,(H,20,21,24)(H,22,23,25)
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n/an/a 1.12E+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
BindingDB Entry DOI: 10.7270/Q2RN38Z0
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM54792
PNG
(2-(3-cyano-5,8-dimethyl-quinolin-2-yl)sulfanyl-N-(...)
Show SMILES CCc1cccc(C)c1NC(=O)CSc1nc2c(C)ccc(C)c2cc1C#N
Show InChI InChI=1S/C23H23N3OS/c1-5-17-8-6-7-15(3)21(17)25-20(27)13-28-23-18(12-24)11-19-14(2)9-10-16(4)22(19)26-23/h6-11H,5,13H2,1-4H3,(H,25,27)
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n/an/a 1.13E+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
BindingDB Entry DOI: 10.7270/Q2RN38Z0
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 7


(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
BindingDB Entry DOI: 10.7270/Q2RN38Z0
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50393481
PNG
(CHEMBL2159956)
Show SMILES Cc1ccc2cc(C(N3CCCC4(CCCCC4)C3)c3nnnn3C3CCCC3)c(=O)[nH]c2c1C
Show InChI InChI=1S/C28H38N6O/c1-19-11-12-21-17-23(27(35)29-24(21)20(19)2)25(26-30-31-32-34(26)22-9-4-5-10-22)33-16-8-15-28(18-33)13-6-3-7-14-28/h11-12,17,22,25H,3-10,13-16,18H2,1-2H3,(H,29,35)
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n/an/a 1.21E+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
BindingDB Entry DOI: 10.7270/Q2RN38Z0
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50393464
PNG
(CHEMBL2159941)
Show SMILES COc1ccc(CN(Cc2ccccc2)C(c2nnnn2C2CCCC2)c2cc3cc(C)ccc3[nH]c2=O)cc1
Show InChI InChI=1S/C32H34N6O2/c1-22-12-17-29-25(18-22)19-28(32(39)33-29)30(31-34-35-36-38(31)26-10-6-7-11-26)37(20-23-8-4-3-5-9-23)21-24-13-15-27(40-2)16-14-24/h3-5,8-9,12-19,26,30H,6-7,10-11,20-21H2,1-2H3,(H,33,39)
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n/an/a 1.30E+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
BindingDB Entry DOI: 10.7270/Q2RN38Z0
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50393465
PNG
(CHEMBL2159942)
Show SMILES Cc1ccc2[nH]c(=O)c(cc2c1)C(N(Cc1ccccc1)Cc1ccccc1)c1nnnn1C1CCCC1
Show InChI InChI=1S/C31H32N6O/c1-22-16-17-28-25(18-22)19-27(31(38)32-28)29(30-33-34-35-37(30)26-14-8-9-15-26)36(20-23-10-4-2-5-11-23)21-24-12-6-3-7-13-24/h2-7,10-13,16-19,26,29H,8-9,14-15,20-21H2,1H3,(H,32,38)
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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
BindingDB Entry DOI: 10.7270/Q2RN38Z0
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
BindingDB Entry DOI: 10.7270/Q2RN38Z0
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM46264
PNG
(3-[2-azaspiro[5.5]undecan-2-yl-(1-cyclopentyl-1,2,...)
Show SMILES Cc1ccc2[nH]c(=O)c(cc2c1)C(N1CCCC2(CCCCC2)C1)c1nnnn1C1CCCC1
Show InChI InChI=1S/C27H36N6O/c1-19-10-11-23-20(16-19)17-22(26(34)28-23)24(25-29-30-31-33(25)21-8-3-4-9-21)32-15-7-14-27(18-32)12-5-2-6-13-27/h10-11,16-17,21,24H,2-9,12-15,18H2,1H3,(H,28,34)
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n/an/a 1.37E+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 ARLIED-NEpYTAREG substrate


J Med Chem 54: 1640-54 (2011)


Article DOI: 10.1021/jm101202j
BindingDB Entry DOI: 10.7270/Q2RN38Z0
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 12


(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
BindingDB Entry DOI: 10.7270/Q2RN38Z0
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 7


(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
BindingDB Entry DOI: 10.7270/Q2RN38Z0
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50393482
PNG
(CHEMBL2159957)
Show SMILES Cc1ccc2cc(C(N3CCCC4(CCCCC4)C3)c3nnnn3C3CCCC3)c(=O)[nH]c2c1
Show InChI InChI=1S/C27H36N6O/c1-19-10-11-20-17-22(26(34)28-23(20)16-19)24(25-29-30-31-33(25)21-8-3-4-9-21)32-15-7-14-27(18-32)12-5-2-6-13-27/h10-11,16-17,21,24H,2-9,12-15,18H2,1H3,(H,28,34)
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n/an/a 1.52E+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
BindingDB Entry DOI: 10.7270/Q2RN38Z0
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50393483
PNG
(CHEMBL581454 | GNF-Pf-2995)
Show SMILES Cc1cccc2cc(C(N3CCCC4(CCCCC4)C3)c3nnnn3C3CCCC3)c(=O)[nH]c12
Show InChI InChI=1S/C27H36N6O/c1-19-9-7-10-20-17-22(26(34)28-23(19)20)24(25-29-30-31-33(25)21-11-3-4-12-21)32-16-8-15-27(18-32)13-5-2-6-14-27/h7,9-10,17,21,24H,2-6,8,11-16,18H2,1H3,(H,28,34)
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n/an/a 1.58E+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
BindingDB Entry DOI: 10.7270/Q2RN38Z0
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 12


(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
BindingDB Entry DOI: 10.7270/Q2RN38Z0
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 7


(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
BindingDB Entry DOI: 10.7270/Q2RN38Z0
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50393466
PNG
(CHEMBL2159943)
Show SMILES CC1CCCN(C1)C(c1nnnn1C1CCCC1)c1cc2cc(C)ccc2[nH]c1=O
Show InChI InChI=1S/C23H30N6O/c1-15-9-10-20-17(12-15)13-19(23(30)24-20)21(28-11-5-6-16(2)14-28)22-25-26-27-29(22)18-7-3-4-8-18/h9-10,12-13,16,18,21H,3-8,11,14H2,1-2H3,(H,24,30)
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n/an/a 1.71E+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
BindingDB Entry DOI: 10.7270/Q2RN38Z0
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 12


(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
BindingDB Entry DOI: 10.7270/Q2RN38Z0
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 7


(Homo sapiens (Human))
BDBM50393501
PNG
(CHEMBL2159928)
Show SMILES COc1ccc(cc1)-n1ncc2c(SCC(=O)N3C(C)Cc4ccccc34)ncnc12
Show InChI InChI=1S/C23H21N5O2S/c1-15-11-16-5-3-4-6-20(16)27(15)21(29)13-31-23-19-12-26-28(22(19)24-14-25-23)17-7-9-18(30-2)10-8-17/h3-10,12,14-15H,11,13H2,1-2H3
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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 HePTP expressed in Escherichia coli BL21 using pNPP substrate


J Med Chem 54: 1640-54 (2011)


Article DOI: 10.1021/jm101202j
BindingDB Entry DOI: 10.7270/Q2RN38Z0
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50393484
PNG
(CHEMBL2159958)
Show SMILES COc1ccc2cc(C(N3CCCC4(CCCCC4)C3)c3nnnn3C3CCCC3)c(=O)[nH]c2c1
Show InChI InChI=1S/C27H36N6O2/c1-35-21-11-10-19-16-22(26(34)28-23(19)17-21)24(25-29-30-31-33(25)20-8-3-4-9-20)32-15-7-14-27(18-32)12-5-2-6-13-27/h10-11,16-17,20,24H,2-9,12-15,18H2,1H3,(H,28,34)
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n/an/a 1.82E+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
BindingDB Entry DOI: 10.7270/Q2RN38Z0
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
BindingDB Entry DOI: 10.7270/Q2RN38Z0
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 7


(Homo sapiens (Human))
BDBM46264
PNG
(3-[2-azaspiro[5.5]undecan-2-yl-(1-cyclopentyl-1,2,...)
Show SMILES Cc1ccc2[nH]c(=O)c(cc2c1)C(N1CCCC2(CCCCC2)C1)c1nnnn1C1CCCC1
Show InChI InChI=1S/C27H36N6O/c1-19-10-11-23-20(16-19)17-22(26(34)28-23)24(25-29-30-31-33(25)21-8-3-4-9-21)32-15-7-14-27(18-32)12-5-2-6-13-27/h10-11,16-17,21,24H,2-9,12-15,18H2,1H3,(H,28,34)
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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
BindingDB Entry DOI: 10.7270/Q2RN38Z0
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 7


(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
BindingDB Entry DOI: 10.7270/Q2RN38Z0
More data for this
Ligand-Target Pair
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