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Compile Data Set for Download or QSAR

Found 256 hits with Last Name = 'barrios' and Initial = 'am'   
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))
BDBM50436357
PNG
(CHEMBL2396719)
Show SMILES OC(=O)c1cc2c(C#Cc3cccc(Cl)c3)c(oc2cc1O)-c1ccc(OCC(=O)NC2CC2)cc1
Show InChI InChI=1S/C28H20ClNO6/c29-18-3-1-2-16(12-18)4-11-21-22-13-23(28(33)34)24(31)14-25(22)36-27(21)17-5-9-20(10-6-17)35-15-26(32)30-19-7-8-19/h1-3,5-6,9-10,12-14,19,31H,7-8,15H2,(H,30,32)(H,33,34)
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110n/an/an/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Competitive inhibition of N-terminal 6xHis-tagged LYP catalytic domain (1 to 303) (unknown origin) expressed in Escherichia coli BL21(DE3) using pNPP...


J Med Chem 56: 4990-5008 (2013)


Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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))
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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2.90E+3n/an/an/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Competitive inhibition of N-terminal 6xHis-tagged LYP catalytic domain (1 to 303) (unknown origin) expressed in Escherichia coli BL21(DE3) using pNPP...


J Med Chem 56: 4990-5008 (2013)


Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW
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
Cathepsin B


(Homo sapiens (Human))
BDBM50153290
PNG
(CHEMBL182062 | Na[AuCl4] | gold chloride sodium | ...)
Show SMILES Cl[Au](Cl)Cl
Show InChI InChI=1S/Au.3ClH/h;3*1H/q+3;;;/p-3
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4.20E+3n/an/an/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Tested for inhibitory effect on human liver cathepsin B


Bioorg Med Chem Lett 14: 5113-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.073
BindingDB Entry DOI: 10.7270/Q2057FC9
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50334193
PNG
(CHEMBL1645419)
Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#16]-[#7]=O)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O |r|
Show InChI InChI=1S/C65H109N23O26S/c1-9-29(4)49(86-61(111)40(24-28(2)3)83-55(105)35(13-11-22-73-65(70)71)77-51(101)30(5)75-33(8)90)62(112)82-38(16-19-47(97)98)57(107)85-42(26-48(99)100)60(110)84-41(25-43(66)91)59(109)80-37(15-18-46(95)96)56(106)81-39(20-23-115-88-114)58(108)87-50(32(7)89)63(113)76-31(6)52(102)78-34(12-10-21-72-64(68)69)54(104)79-36(14-17-45(93)94)53(103)74-27-44(67)92/h28-32,34-42,49-50,89H,9-27H2,1-8H3,(H2,66,91)(H2,67,92)(H,74,103)(H,75,90)(H,76,113)(H,77,101)(H,78,102)(H,79,104)(H,80,109)(H,81,106)(H,82,112)(H,83,105)(H,84,110)(H,85,107)(H,86,111)(H,87,108)(H,93,94)(H,95,96)(H,97,98)(H,99,100)(H4,68,69,72)(H4,70,71,73)/t29-,30-,31-,32+,34-,35-,36-,37-,38-,39-,40-,41-,42-,49-,50-/m0/s1
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7.00E+3n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Oxidative inactivation of lymphoid tyrosine phosphatase by DiFMUP assay


Bioorg Med Chem Lett 21: 285-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.025
BindingDB Entry DOI: 10.7270/Q2Q81DBQ
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
Procathepsin L


(Homo sapiens (Human))
BDBM50153290
PNG
(CHEMBL182062 | Na[AuCl4] | gold chloride sodium | ...)
Show SMILES Cl[Au](Cl)Cl
Show InChI InChI=1S/Au.3ClH/h;3*1H/q+3;;;/p-3
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4.80E+4n/an/an/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Tested for inhibitory effect on human liver cathepsin L


Bioorg Med Chem Lett 14: 5113-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.073
BindingDB Entry DOI: 10.7270/Q2057FC9
More data for this
Ligand-Target Pair
Putative cathepsin L 3


(Paramecium tetraurelia)
BDBM50153290
PNG
(CHEMBL182062 | Na[AuCl4] | gold chloride sodium | ...)
Show SMILES Cl[Au](Cl)Cl
Show InChI InChI=1S/Au.3ClH/h;3*1H/q+3;;;/p-3
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5.60E+4n/an/an/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Tested for inhibitory effect on Paramecium tetraurelia cathepsin L


Bioorg Med Chem Lett 14: 5113-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.073
BindingDB Entry DOI: 10.7270/Q2057FC9
More data for this
Ligand-Target Pair
14 kDa phosphohistidine phosphatase


(Homo sapiens)
BDBM50442875
PNG
(NORSTICTIC ACID)
Show SMILES Cc1cc(O)c(C=O)c2Oc3c4C(O)OC(=O)c4c(O)c(C)c3OC(=O)c12
Show InChI InChI=1S/C18H12O9/c1-5-3-8(20)7(4-19)14-9(5)16(22)26-13-6(2)12(21)10-11(15(13)25-14)18(24)27-17(10)23/h3-4,18,20-21,24H,1-2H3
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9.00E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00053
BindingDB Entry DOI: 10.7270/Q2S75MCF
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50153289
PNG
(CHEMBL182346 | disodium [2-(sulfanyl-kappaS)butane...)
Show SMILES [O-]C(=O)CC(S[Au])C([O-])=O
Show InChI InChI=1S/C4H6O4S.Au/c5-3(6)1-2(9)4(7)8;/h2,9H,1H2,(H,5,6)(H,7,8);/q;+1/p-3
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1.10E+5n/an/an/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Tested for inhibitory effect on human liver cathepsin L


Bioorg Med Chem Lett 14: 5113-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.073
BindingDB Entry DOI: 10.7270/Q2057FC9
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase F


(Homo sapiens (Human))
BDBM50262987
PNG
(CHEMBL506661 | Illudalic acid)
Show SMILES CC1(C)Cc2c(C1)c1C(=O)OC(O)Cc1c(C=O)c2O
Show InChI InChI=1S/C15H16O5/c1-15(2)4-8-9(5-15)13(18)10(6-16)7-3-11(17)20-14(19)12(7)8/h6,11,17-18H,3-5H2,1-2H3
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1.30E+5n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Non-covalent inhibition of LAR (unknown origin) using DiFMUP as substrate incubated for 15 to 120 mins followed by substrate addition at pH 6.5 by st...


J Nat Prod 82: 3386-3393 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00663
BindingDB Entry DOI: 10.7270/Q25H7KRW
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase F


(Homo sapiens (Human))
BDBM50262987
PNG
(CHEMBL506661 | Illudalic acid)
Show SMILES CC1(C)Cc2c(C1)c1C(=O)OC(O)Cc1c(C=O)c2O
Show InChI InChI=1S/C15H16O5/c1-15(2)4-8-9(5-15)13(18)10(6-16)7-3-11(17)20-14(19)12(7)8/h6,11,17-18H,3-5H2,1-2H3
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1.30E+5n/an/an/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Non-covalent inhibition of LAR (unknown origin) using DiFMUP as substrate incubated for 15 to 120 mins followed by substrate addition at pH 6.5 by st...


J Nat Prod 82: 3386-3393 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00663
BindingDB Entry DOI: 10.7270/Q25H7KRW
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50153289
PNG
(CHEMBL182346 | disodium [2-(sulfanyl-kappaS)butane...)
Show SMILES [O-]C(=O)CC(S[Au])C([O-])=O
Show InChI InChI=1S/C4H6O4S.Au/c5-3(6)1-2(9)4(7)8;/h2,9H,1H2,(H,5,6)(H,7,8);/q;+1/p-3
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1.80E+5n/an/an/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Tested for inhibitory effect on human liver cathepsin B


Bioorg Med Chem Lett 14: 5113-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.073
BindingDB Entry DOI: 10.7270/Q2057FC9
More data for this
Ligand-Target Pair
Putative cathepsin L 3


(Paramecium tetraurelia)
BDBM50153289
PNG
(CHEMBL182346 | disodium [2-(sulfanyl-kappaS)butane...)
Show SMILES [O-]C(=O)CC(S[Au])C([O-])=O
Show InChI InChI=1S/C4H6O4S.Au/c5-3(6)1-2(9)4(7)8;/h2,9H,1H2,(H,5,6)(H,7,8);/q;+1/p-3
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2.40E+5n/an/an/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Tested for inhibitory effect on Paramecium tetraurelia cathepsin L


Bioorg Med Chem Lett 14: 5113-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.073
BindingDB Entry DOI: 10.7270/Q2057FC9
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50153291
PNG
((1-Thio-beta-D-glucopyranosato)(triethylphosphine)...)
Show SMILES CC[P+](CC)(CC)[Au-]S[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O
Show InChI InChI=1S/C14H20O9S.C6H15P.Au/c1-6(15)19-5-10-11(20-7(2)16)12(21-8(3)17)13(14(24)23-10)22-9(4)18;1-4-7(5-2)6-3;/h10-14,24H,5H2,1-4H3;4-6H2,1-3H3;/q;;+1/p-1/t10-,11-,12+,13-,14+;;/m1../s1
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4.40E+5n/an/an/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Tested for inhibitory effect on human liver cathepsin B


Bioorg Med Chem Lett 14: 5113-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.073
BindingDB Entry DOI: 10.7270/Q2057FC9
More data for this
Ligand-Target Pair
Putative cathepsin L 3


(Paramecium tetraurelia)
BDBM50153291
PNG
((1-Thio-beta-D-glucopyranosato)(triethylphosphine)...)
Show SMILES CC[P+](CC)(CC)[Au-]S[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O
Show InChI InChI=1S/C14H20O9S.C6H15P.Au/c1-6(15)19-5-10-11(20-7(2)16)12(21-8(3)17)13(14(24)23-10)22-9(4)18;1-4-7(5-2)6-3;/h10-14,24H,5H2,1-4H3;4-6H2,1-3H3;/q;;+1/p-1/t10-,11-,12+,13-,14+;;/m1../s1
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5.00E+5n/an/an/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Tested for inhibitory effect on Paramecium tetraurelia cathepsin L


Bioorg Med Chem Lett 14: 5113-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.073
BindingDB Entry DOI: 10.7270/Q2057FC9
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50153291
PNG
((1-Thio-beta-D-glucopyranosato)(triethylphosphine)...)
Show SMILES CC[P+](CC)(CC)[Au-]S[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O
Show InChI InChI=1S/C14H20O9S.C6H15P.Au/c1-6(15)19-5-10-11(20-7(2)16)12(21-8(3)17)13(14(24)23-10)22-9(4)18;1-4-7(5-2)6-3;/h10-14,24H,5H2,1-4H3;4-6H2,1-3H3;/q;;+1/p-1/t10-,11-,12+,13-,14+;;/m1../s1
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>1.00E+6n/an/an/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Tested for inhibitory effect on human liver cathepsin L


Bioorg Med Chem Lett 14: 5113-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.073
BindingDB Entry DOI: 10.7270/Q2057FC9
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50436358
PNG
(CHEMBL2396718)
Show SMILES CCCNC(=O)COc1ccc(cc1)-c1oc2cc(O)c(cc2c1C#Cc1cccc(Cl)c1)C(O)=O
Show InChI InChI=1S/C28H22ClNO6/c1-2-12-30-26(32)16-35-20-9-7-18(8-10-20)27-21(11-6-17-4-3-5-19(29)13-17)22-14-23(28(33)34)24(31)15-25(22)36-27/h3-5,7-10,13-15,31H,2,12,16H2,1H3,(H,30,32)(H,33,34)
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n/an/a 171n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged LYP catalytic domain (1 to 303) (unknown origin) expressed in Escherichia coli BL21(DE3) using pNPP as substrat...


J Med Chem 56: 4990-5008 (2013)


Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50436357
PNG
(CHEMBL2396719)
Show SMILES OC(=O)c1cc2c(C#Cc3cccc(Cl)c3)c(oc2cc1O)-c1ccc(OCC(=O)NC2CC2)cc1
Show InChI InChI=1S/C28H20ClNO6/c29-18-3-1-2-16(12-18)4-11-21-22-13-23(28(33)34)24(31)14-25(22)36-27(21)17-5-9-20(10-6-17)35-15-26(32)30-19-7-8-19/h1-3,5-6,9-10,12-14,19,31H,7-8,15H2,(H,30,32)(H,33,34)
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n/an/a 250n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Reversible inhibition of N-terminal 6xHis-tagged LYP catalytic domain (1 to 303) (unknown origin) expressed in Escherichia coli BL21(DE3) using pNPP ...


J Med Chem 56: 4990-5008 (2013)


Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50436357
PNG
(CHEMBL2396719)
Show SMILES OC(=O)c1cc2c(C#Cc3cccc(Cl)c3)c(oc2cc1O)-c1ccc(OCC(=O)NC2CC2)cc1
Show InChI InChI=1S/C28H20ClNO6/c29-18-3-1-2-16(12-18)4-11-21-22-13-23(28(33)34)24(31)14-25(22)36-27(21)17-5-9-20(10-6-17)35-15-26(32)30-19-7-8-19/h1-3,5-6,9-10,12-14,19,31H,7-8,15H2,(H,30,32)(H,33,34)
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n/an/a 259n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Reversible inhibition of N-terminal 6xHis-tagged LYP catalytic domain (1 to 303) (unknown origin) expressed in Escherichia coli BL21(DE3) using pNPP ...


J Med Chem 56: 4990-5008 (2013)


Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50436360
PNG
(CHEMBL2396723)
Show SMILES COc1ccc(CNC(=O)COc2ccc(cc2)-c2oc3cc(O)c(cc3c2C#Cc2cccc(Cl)c2)C(O)=O)cc1OC
Show InChI InChI=1S/C34H26ClNO8/c1-41-29-13-7-21(15-31(29)42-2)18-36-32(38)19-43-24-10-8-22(9-11-24)33-25(12-6-20-4-3-5-23(35)14-20)26-16-27(34(39)40)28(37)17-30(26)44-33/h3-5,7-11,13-17,37H,18-19H2,1-2H3,(H,36,38)(H,39,40)
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n/an/a 259n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged LYP catalytic domain (1 to 303) (unknown origin) expressed in Escherichia coli BL21(DE3) using pNPP as substrat...


J Med Chem 56: 4990-5008 (2013)


Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50436357
PNG
(CHEMBL2396719)
Show SMILES OC(=O)c1cc2c(C#Cc3cccc(Cl)c3)c(oc2cc1O)-c1ccc(OCC(=O)NC2CC2)cc1
Show InChI InChI=1S/C28H20ClNO6/c29-18-3-1-2-16(12-18)4-11-21-22-13-23(28(33)34)24(31)14-25(22)36-27(21)17-5-9-20(10-6-17)35-15-26(32)30-19-7-8-19/h1-3,5-6,9-10,12-14,19,31H,7-8,15H2,(H,30,32)(H,33,34)
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n/an/a 259n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged LYP catalytic domain (1 to 303) (unknown origin) expressed in Escherichia coli BL21(DE3) using pNPP as substrat...


J Med Chem 56: 4990-5008 (2013)


Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50436357
PNG
(CHEMBL2396719)
Show SMILES OC(=O)c1cc2c(C#Cc3cccc(Cl)c3)c(oc2cc1O)-c1ccc(OCC(=O)NC2CC2)cc1
Show InChI InChI=1S/C28H20ClNO6/c29-18-3-1-2-16(12-18)4-11-21-22-13-23(28(33)34)24(31)14-25(22)36-27(21)17-5-9-20(10-6-17)35-15-26(32)30-19-7-8-19/h1-3,5-6,9-10,12-14,19,31H,7-8,15H2,(H,30,32)(H,33,34)
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n/an/a 259n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged LYP catalytic domain (1 to 294) (unknown origin) expressed in Escherichia coli BL21(DE3) using pNPP as substrat...


J Med Chem 56: 4990-5008 (2013)


Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50436363
PNG
(CHEMBL2396720)
Show SMILES OC(=O)c1cc2c(C#Cc3cccc(Cl)c3)c(oc2cc1O)-c1ccc(OCC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C31H20ClNO6/c32-21-6-4-5-19(15-21)9-14-24-25-16-26(31(36)37)27(34)17-28(25)39-30(24)20-10-12-23(13-11-20)38-18-29(35)33-22-7-2-1-3-8-22/h1-8,10-13,15-17,34H,18H2,(H,33,35)(H,36,37)
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n/an/a 263n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged LYP catalytic domain (1 to 303) (unknown origin) expressed in Escherichia coli BL21(DE3) using pNPP as substrat...


J Med Chem 56: 4990-5008 (2013)


Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50436364
PNG
(CHEMBL2396717)
Show SMILES CC(C)c1ccc(NC(=O)COc2cccc(c2)-c2oc3cc(O)c(cc3c2C#Cc2cccc(Cl)c2)C(O)=O)cc1
Show InChI InChI=1S/C34H26ClNO6/c1-20(2)22-10-12-25(13-11-22)36-32(38)19-41-26-8-4-6-23(16-26)33-27(14-9-21-5-3-7-24(35)15-21)28-17-29(34(39)40)30(37)18-31(28)42-33/h3-8,10-13,15-18,20,37H,19H2,1-2H3,(H,36,38)(H,39,40)
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n/an/a 300n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged LYP catalytic domain (1 to 303) (unknown origin) expressed in Escherichia coli BL21(DE3) using pNPP as substrat...


J Med Chem 56: 4990-5008 (2013)


Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50436364
PNG
(CHEMBL2396717)
Show SMILES CC(C)c1ccc(NC(=O)COc2cccc(c2)-c2oc3cc(O)c(cc3c2C#Cc2cccc(Cl)c2)C(O)=O)cc1
Show InChI InChI=1S/C34H26ClNO6/c1-20(2)22-10-12-25(13-11-22)36-32(38)19-41-26-8-4-6-23(16-26)33-27(14-9-21-5-3-7-24(35)15-21)28-17-29(34(39)40)30(37)18-31(28)42-33/h3-8,10-13,15-18,20,37H,19H2,1-2H3,(H,36,38)(H,39,40)
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n/an/a 300n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged LYP catalytic domain (1 to 294) (unknown origin) expressed in Escherichia coli BL21(DE3) using pNPP as substrat...


J Med Chem 56: 4990-5008 (2013)


Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50436362
PNG
(CHEMBL2396721)
Show SMILES OC(=O)c1cc2c(C#Cc3cccc(Cl)c3)c(oc2cc1O)-c1ccc(OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |THB:36:35:32:38.37.39,36:37:34.35.40:32,39:37:34:40.31.32,39:31:34:38.36.37|
Show InChI InChI=1S/C35H30ClNO6/c36-25-3-1-2-20(13-25)4-9-27-28-14-29(34(40)41)30(38)15-31(28)43-33(27)24-5-7-26(8-6-24)42-19-32(39)37-35-16-21-10-22(17-35)12-23(11-21)18-35/h1-3,5-8,13-15,21-23,38H,10-12,16-19H2,(H,37,39)(H,40,41)
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n/an/a 310n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged LYP catalytic domain (1 to 303) (unknown origin) expressed in Escherichia coli BL21(DE3) using pNPP as substrat...


J Med Chem 56: 4990-5008 (2013)


Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50436358
PNG
(CHEMBL2396718)
Show SMILES CCCNC(=O)COc1ccc(cc1)-c1oc2cc(O)c(cc2c1C#Cc1cccc(Cl)c1)C(O)=O
Show InChI InChI=1S/C28H22ClNO6/c1-2-12-30-26(32)16-35-20-9-7-18(8-10-20)27-21(11-6-17-4-3-5-19(29)13-17)22-14-23(28(33)34)24(31)15-25(22)36-27/h3-5,7-10,13-15,31H,2,12,16H2,1H3,(H,30,32)(H,33,34)
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n/an/a 340n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant LMWPTP (unknown origin) using pNPP as substrate by spectrophotometric analysis


J Med Chem 56: 4990-5008 (2013)


Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 13


(Homo sapiens (Human))
BDBM50436358
PNG
(CHEMBL2396718)
Show SMILES CCCNC(=O)COc1ccc(cc1)-c1oc2cc(O)c(cc2c1C#Cc1cccc(Cl)c1)C(O)=O
Show InChI InChI=1S/C28H22ClNO6/c1-2-12-30-26(32)16-35-20-9-7-18(8-10-20)27-21(11-6-17-4-3-5-19(29)13-17)22-14-23(28(33)34)24(31)15-25(22)36-27/h3-5,7-10,13-15,31H,2,12,16H2,1H3,(H,30,32)(H,33,34)
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n/an/a 390n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant FAP-1 (unknown origin) using pNPP as substrate by spectrophotometric analysis


J Med Chem 56: 4990-5008 (2013)


Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase beta


(Homo sapiens (Human))
BDBM50436358
PNG
(CHEMBL2396718)
Show SMILES CCCNC(=O)COc1ccc(cc1)-c1oc2cc(O)c(cc2c1C#Cc1cccc(Cl)c1)C(O)=O
Show InChI InChI=1S/C28H22ClNO6/c1-2-12-30-26(32)16-35-20-9-7-18(8-10-20)27-21(11-6-17-4-3-5-19(29)13-17)22-14-23(28(33)34)24(31)15-25(22)36-27/h3-5,7-10,13-15,31H,2,12,16H2,1H3,(H,30,32)(H,33,34)
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n/an/a 470n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant PTPbeta (unknown origin) using pNPP as substrate by spectrophotometric analysis


J Med Chem 56: 4990-5008 (2013)


Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50436361
PNG
(CHEMBL2396722)
Show SMILES OC(=O)c1cc2c(C#Cc3cccc(Cl)c3)c(oc2cc1O)-c1ccc(OCC(=O)N2CCC(CC2)c2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C36H26Cl3NO6/c37-25-3-1-2-21(16-25)4-10-27-28-18-29(36(43)44)32(41)19-33(28)46-35(27)23-5-8-26(9-6-23)45-20-34(42)40-14-12-22(13-15-40)24-7-11-30(38)31(39)17-24/h1-3,5-9,11,16-19,22,41H,12-15,20H2,(H,43,44)
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n/an/a 550n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged LYP catalytic domain (1 to 303) (unknown origin) expressed in Escherichia coli BL21(DE3) using pNPP as substrat...


J Med Chem 56: 4990-5008 (2013)


Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM50436358
PNG
(CHEMBL2396718)
Show SMILES CCCNC(=O)COc1ccc(cc1)-c1oc2cc(O)c(cc2c1C#Cc1cccc(Cl)c1)C(O)=O
Show InChI InChI=1S/C28H22ClNO6/c1-2-12-30-26(32)16-35-20-9-7-18(8-10-20)27-21(11-6-17-4-3-5-19(29)13-17)22-14-23(28(33)34)24(31)15-25(22)36-27/h3-5,7-10,13-15,31H,2,12,16H2,1H3,(H,30,32)(H,33,34)
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n/an/a 560n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant SHP-2 (unknown origin) using pNPP as substrate by spectrophotometric analysis


J Med Chem 56: 4990-5008 (2013)


Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 9


(Homo sapiens (Human))
BDBM50436358
PNG
(CHEMBL2396718)
Show SMILES CCCNC(=O)COc1ccc(cc1)-c1oc2cc(O)c(cc2c1C#Cc1cccc(Cl)c1)C(O)=O
Show InChI InChI=1S/C28H22ClNO6/c1-2-12-30-26(32)16-35-20-9-7-18(8-10-20)27-21(11-6-17-4-3-5-19(29)13-17)22-14-23(28(33)34)24(31)15-25(22)36-27/h3-5,7-10,13-15,31H,2,12,16H2,1H3,(H,30,32)(H,33,34)
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n/an/a 590n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant PTP-MEG2 (unknown origin) using pNPP as substrate by spectrophotometric analysis


J Med Chem 56: 4990-5008 (2013)


Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50153290
PNG
(CHEMBL182062 | Na[AuCl4] | gold chloride sodium | ...)
Show SMILES Cl[Au](Cl)Cl
Show InChI InChI=1S/Au.3ClH/h;3*1H/q+3;;;/p-3
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n/an/a 600n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibitory concentration against human liver cathepsin B


Bioorg Med Chem Lett 14: 5113-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.073
BindingDB Entry DOI: 10.7270/Q2057FC9
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50436367
PNG
(CHEMBL2396714)
Show SMILES OC(=O)c1cc2c(C#Cc3ccc(Cl)c(Cl)c3)c(oc2cc1O)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C24H11Cl2F3O5/c25-18-8-2-12(9-19(18)26)1-7-15-16-10-17(23(31)32)20(30)11-21(16)33-22(15)13-3-5-14(6-4-13)34-24(27,28)29/h2-6,8-11,30H,(H,31,32)
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n/an/a 610n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged LYP catalytic domain (1 to 303) (unknown origin) expressed in Escherichia coli BL21(DE3) using pNPP as substrat...


J Med Chem 56: 4990-5008 (2013)


Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50425815
PNG
(CHEMBL2316908)
Show SMILES OC(=O)c1cc2c(C#Cc3ccc(Oc4ccccc4)cc3)c(oc2cc1O)-c1ccccc1
Show InChI InChI=1S/C29H18O5/c30-26-18-27-24(17-25(26)29(31)32)23(28(34-27)20-7-3-1-4-8-20)16-13-19-11-14-22(15-12-19)33-21-9-5-2-6-10-21/h1-12,14-15,17-18,30H,(H,31,32)
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n/an/a 630n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged LYP catalytic domain (1 to 303) (unknown origin) expressed in Escherichia coli BL21(DE3) using pNPP as substrat...


J Med Chem 56: 4990-5008 (2013)


Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50436359
PNG
(CHEMBL2396724)
Show SMILES OC(=O)c1cc2c(C#Cc3cccc(Cl)c3)c(oc2cc1O)-c1ccc(OCC(=O)NCCc2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C33H22Cl3NO6/c34-22-3-1-2-19(14-22)4-11-25-26-16-27(33(40)41)29(38)17-30(26)43-32(25)21-6-9-24(10-7-21)42-18-31(39)37-13-12-20-5-8-23(35)15-28(20)36/h1-3,5-10,14-17,38H,12-13,18H2,(H,37,39)(H,40,41)
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n/an/a 670n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged LYP catalytic domain (1 to 303) (unknown origin) expressed in Escherichia coli BL21(DE3) using pNPP as substrat...


J Med Chem 56: 4990-5008 (2013)


Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50436368
PNG
(CHEMBL2396713)
Show SMILES OC(=O)c1cc2c(C#Cc3cccc(Cl)c3)c(oc2cc1O)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C24H12ClF3O5/c25-15-3-1-2-13(10-15)4-9-17-18-11-19(23(30)31)20(29)12-21(18)32-22(17)14-5-7-16(8-6-14)33-24(26,27)28/h1-3,5-8,10-12,29H,(H,30,31)
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n/an/a 680n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged LYP catalytic domain (1 to 294) (unknown origin) expressed in Escherichia coli BL21(DE3) using pNPP as substrat...


J Med Chem 56: 4990-5008 (2013)


Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50436368
PNG
(CHEMBL2396713)
Show SMILES OC(=O)c1cc2c(C#Cc3cccc(Cl)c3)c(oc2cc1O)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C24H12ClF3O5/c25-15-3-1-2-13(10-15)4-9-17-18-11-19(23(30)31)20(29)12-21(18)32-22(17)14-5-7-16(8-6-14)33-24(26,27)28/h1-3,5-8,10-12,29H,(H,30,31)
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n/an/a 680n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged LYP catalytic domain (1 to 303) (unknown origin) expressed in Escherichia coli BL21(DE3) using pNPP as substrat...


J Med Chem 56: 4990-5008 (2013)


Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 12


(Homo sapiens (Human))
BDBM50436358
PNG
(CHEMBL2396718)
Show SMILES CCCNC(=O)COc1ccc(cc1)-c1oc2cc(O)c(cc2c1C#Cc1cccc(Cl)c1)C(O)=O
Show InChI InChI=1S/C28H22ClNO6/c1-2-12-30-26(32)16-35-20-9-7-18(8-10-20)27-21(11-6-17-4-3-5-19(29)13-17)22-14-23(28(33)34)24(31)15-25(22)36-27/h3-5,7-10,13-15,31H,2,12,16H2,1H3,(H,30,32)(H,33,34)
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n/an/a 800n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant PTP-PEST (unknown origin) using pNPP as substrate by spectrophotometric analysis


J Med Chem 56: 4990-5008 (2013)


Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 6


(Homo sapiens (Human))
BDBM50436358
PNG
(CHEMBL2396718)
Show SMILES CCCNC(=O)COc1ccc(cc1)-c1oc2cc(O)c(cc2c1C#Cc1cccc(Cl)c1)C(O)=O
Show InChI InChI=1S/C28H22ClNO6/c1-2-12-30-26(32)16-35-20-9-7-18(8-10-20)27-21(11-6-17-4-3-5-19(29)13-17)22-14-23(28(33)34)24(31)15-25(22)36-27/h3-5,7-10,13-15,31H,2,12,16H2,1H3,(H,30,32)(H,33,34)
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n/an/a 910n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant SHP-1 (unknown origin) using pNPP as substrate by spectrophotometric analysis


J Med Chem 56: 4990-5008 (2013)


Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW
More data for this
Ligand-Target Pair
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