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Compile Data Set for Download or QSAR

Found 311 hits Enz. Inhib. hit(s) with Target = 'Protein-tyrosine phosphatase 1C'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50162438
PNG
((S)-2-[2-((S)-2-{(S)-2-[(S)-2-{(S)-2-[(S)-2-((S)-2...)
Show SMILES CC(C)C[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)c1ccccc1)C(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C47H70N9O16P/c1-24(2)19-31(48)41(61)55-39(26(5)6)45(65)56-40(27(7)29-11-9-8-10-12-29)46(66)54-34(21-28-13-15-30(16-14-28)72-73(69,70)71)43(63)53-35(22-36(49)57)44(64)52-33(20-25(3)4)42(62)50-23-37(58)51-32(47(67)68)17-18-38(59)60/h8-16,24-27,31-35,39-40H,17-23,48H2,1-7H3,(H2,49,57)(H,50,62)(H,51,58)(H,52,64)(H,53,63)(H,54,66)(H,55,61)(H,56,65)(H,59,60)(H,67,68)(H2,69,70,71)/t27?,31-,32-,33-,34-,35-,39-,40-/m0/s1
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n/an/an/an/a 5.00E+4n/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Concentration required to stimulate SHP-1 enzymatic activity by 50%


J Med Chem 48: 1528-39 (2005)


Article DOI: 10.1021/jm049151t
BindingDB Entry DOI: 10.7270/Q2FT8KHQ
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50162435
PNG
(CHEMBL274087 | H-Glu-Gly-Leu-Asn-pTyr-Nle-Val-Phe-...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C49H66N9O16P/c1-27(2)21-35(44(64)52-26-40(60)53-34(49(69)70)19-20-41(61)62)54-47(67)38(25-39(51)59)56-45(65)36(24-31-15-17-32(18-16-31)74-75(71,72)73)55-46(66)37(23-30-13-9-6-10-14-30)57-48(68)42(28(3)4)58-43(63)33(50)22-29-11-7-5-8-12-29/h5-18,27-28,33-38,42H,19-26,50H2,1-4H3,(H2,51,59)(H,52,64)(H,53,60)(H,54,67)(H,55,66)(H,56,65)(H,57,68)(H,58,63)(H,61,62)(H,69,70)(H2,71,72,73)/t33-,34-,35-,36-,37-,38-,42-/m0/s1
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n/an/an/an/a 5.00E+4n/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Concentration required to stimulate SHP-1 enzymatic activity by 50%


J Med Chem 48: 1528-39 (2005)


Article DOI: 10.1021/jm049151t
BindingDB Entry DOI: 10.7270/Q2FT8KHQ
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50162436
PNG
((S)-2-[2-((S)-2-{(S)-2-[(S)-2-{2-[(S)-2-((S)-2-Ami...)
Show SMILES CCCCC(NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C46H68N9O16P/c1-6-7-13-31(51-45(65)39(26(4)5)55-40(60)30(47)21-27-11-9-8-10-12-27)42(62)53-34(22-28-14-16-29(17-15-28)71-72(68,69)70)43(63)54-35(23-36(48)56)44(64)52-33(20-25(2)3)41(61)49-24-37(57)50-32(46(66)67)18-19-38(58)59/h8-12,14-17,25-26,30-35,39H,6-7,13,18-24,47H2,1-5H3,(H2,48,56)(H,49,61)(H,50,57)(H,51,65)(H,52,64)(H,53,62)(H,54,63)(H,55,60)(H,58,59)(H,66,67)(H2,68,69,70)/t30-,31?,32-,33-,34-,35-,39-/m0/s1
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n/an/an/an/a 6.00E+4n/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Concentration required to stimulate SHP-1 enzymatic activity by 50%


J Med Chem 48: 1528-39 (2005)


Article DOI: 10.1021/jm049151t
BindingDB Entry DOI: 10.7270/Q2FT8KHQ
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50162444
PNG
(CHEMBL273780 | H-Glu-Gly-Leu-Asn-pTyr-Phe-Val-Leu-...)
Show SMILES CC(C)C[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C46H68N9O16P/c1-24(2)18-30(47)40(60)55-39(26(5)6)45(65)54-34(20-27-10-8-7-9-11-27)43(63)52-33(21-28-12-14-29(15-13-28)71-72(68,69)70)42(62)53-35(22-36(48)56)44(64)51-32(19-25(3)4)41(61)49-23-37(57)50-31(46(66)67)16-17-38(58)59/h7-15,24-26,30-35,39H,16-23,47H2,1-6H3,(H2,48,56)(H,49,61)(H,50,57)(H,51,64)(H,52,63)(H,53,62)(H,54,65)(H,55,60)(H,58,59)(H,66,67)(H2,68,69,70)/t30-,31-,32-,33-,34-,35-,39-/m0/s1
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n/an/an/an/a 7.00E+4n/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Concentration required to stimulate SHP-1 enzymatic activity by 50%


J Med Chem 48: 1528-39 (2005)


Article DOI: 10.1021/jm049151t
BindingDB Entry DOI: 10.7270/Q2FT8KHQ
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50162439
PNG
(CHEMBL439086 | H-Glu-Gly-Leu-Asn-pTyr-Hfe-Val-Leu-...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)C(N)CCc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C46H68N9O16PS/c1-25(2)21-33(41(61)49-24-37(57)50-32(46(66)67)17-18-38(58)59)52-44(64)35(23-36(48)56)54-43(63)34(22-28-11-14-29(15-12-28)71-72(68,69)70)53-42(62)31(19-20-73-5)51-45(65)39(26(3)4)55-40(60)30(47)16-13-27-9-7-6-8-10-27/h6-12,14-15,25-26,30-35,39H,13,16-24,47H2,1-5H3,(H2,48,56)(H,49,61)(H,50,57)(H,51,65)(H,52,64)(H,53,62)(H,54,63)(H,55,60)(H,58,59)(H,66,67)(H2,68,69,70)/t30?,31-,32-,33-,34-,35-,39-/m0/s1
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n/an/an/an/a 7.50E+4n/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Concentration required to stimulate SHP-1 enzymatic activity by 50%


J Med Chem 48: 1528-39 (2005)


Article DOI: 10.1021/jm049151t
BindingDB Entry DOI: 10.7270/Q2FT8KHQ
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50162443
PNG
(CHEMBL412186 | H-Glu-Gly-Leu-Asn-pTyr-Met-Val-Abu(...)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)c1ccccc1)C(C)C)C(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C46H68N9O16PS/c1-24(2)20-32(40(60)49-23-36(57)50-31(46(66)67)16-17-37(58)59)52-43(63)34(22-35(47)56)54-42(62)33(21-27-12-14-29(15-13-27)71-72(68,69)70)53-41(61)30(18-19-73-6)51-45(65)39(25(3)4)55-44(64)38(48)26(5)28-10-8-7-9-11-28/h7-15,24-26,30-34,38-39H,16-23,48H2,1-6H3,(H2,47,56)(H,49,60)(H,50,57)(H,51,65)(H,52,63)(H,53,61)(H,54,62)(H,55,64)(H,58,59)(H,66,67)(H2,68,69,70)/t26?,30-,31+,32+,33+,34+,38+,39+/m1/s1
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n/an/an/an/a 8.00E+4n/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Concentration required to stimulate SHP-1 enzymatic activity by 50%


J Med Chem 48: 1528-39 (2005)


Article DOI: 10.1021/jm049151t
BindingDB Entry DOI: 10.7270/Q2FT8KHQ
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50162448
PNG
(CHEMBL413492 | H-Glu-Gly-Leu-Asn-pTyr-Met-Val-Ser(...)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C(O)c1ccccc1)C(C)C)C(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C45H66N9O17PS/c1-23(2)19-30(39(60)48-22-34(56)49-29(45(66)67)15-16-35(57)58)51-42(63)32(21-33(46)55)53-41(62)31(20-25-11-13-27(14-12-25)71-72(68,69)70)52-40(61)28(17-18-73-5)50-44(65)37(24(3)4)54-43(64)36(47)38(59)26-9-7-6-8-10-26/h6-14,23-24,28-32,36-38,59H,15-22,47H2,1-5H3,(H2,46,55)(H,48,60)(H,49,56)(H,50,65)(H,51,63)(H,52,61)(H,53,62)(H,54,64)(H,57,58)(H,66,67)(H2,68,69,70)/t28-,29+,30+,31+,32+,36+,37+,38?/m1/s1
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n/an/an/an/a 8.50E+4n/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Concentration required to stimulate SHP-1 enzymatic activity by 50%


J Med Chem 48: 1528-39 (2005)


Article DOI: 10.1021/jm049151t
BindingDB Entry DOI: 10.7270/Q2FT8KHQ
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50162446
PNG
((S)-2-[2-((S)-2-{(S)-2-[(S)-2-{2-[(S)-2-((S)-2-Ami...)
Show SMILES CC(C)C[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)NC(CCc1ccccc1)C(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C47H70N9O16P/c1-25(2)20-31(48)41(61)56-40(27(5)6)46(66)52-32(17-14-28-10-8-7-9-11-28)43(63)54-35(22-29-12-15-30(16-13-29)72-73(69,70)71)44(64)55-36(23-37(49)57)45(65)53-34(21-26(3)4)42(62)50-24-38(58)51-33(47(67)68)18-19-39(59)60/h7-13,15-16,25-27,31-36,40H,14,17-24,48H2,1-6H3,(H2,49,57)(H,50,62)(H,51,58)(H,52,66)(H,53,65)(H,54,63)(H,55,64)(H,56,61)(H,59,60)(H,67,68)(H2,69,70,71)/t31-,32?,33-,34-,35-,36-,40-/m0/s1
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n/an/an/an/a 1.40E+5n/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Concentration required to stimulate SHP-1 enzymatic activity by 50%


J Med Chem 48: 1528-39 (2005)


Article DOI: 10.1021/jm049151t
BindingDB Entry DOI: 10.7270/Q2FT8KHQ
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50162442
PNG
(CHEMBL386749 | H-Glu-Gly-Leu-Asn-pTyr-Met-Val-Phe-...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C45H66N9O16PS/c1-24(2)19-32(40(60)48-23-36(56)49-31(45(65)66)15-16-37(57)58)51-43(63)34(22-35(47)55)53-42(62)33(21-27-11-13-28(14-12-27)70-71(67,68)69)52-41(61)30(17-18-72-5)50-44(64)38(25(3)4)54-39(59)29(46)20-26-9-7-6-8-10-26/h6-14,24-25,29-34,38H,15-23,46H2,1-5H3,(H2,47,55)(H,48,60)(H,49,56)(H,50,64)(H,51,63)(H,52,61)(H,53,62)(H,54,59)(H,57,58)(H,65,66)(H2,67,68,69)/t29-,30-,31-,32-,33-,34-,38-/m0/s1
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n/an/an/an/a 1.40E+5n/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Concentration required to stimulate SHP-1 enzymatic activity by 50%


J Med Chem 48: 1528-39 (2005)


Article DOI: 10.1021/jm049151t
BindingDB Entry DOI: 10.7270/Q2FT8KHQ
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50162449
PNG
(CHEMBL269042 | H-Glu-Gly-Leu-Asn-pTyr-Phe-Val-Phe-...)
Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C49H66N9O17PS/c1-27(2)21-36(44(65)52-26-41(61)53-35(49(70)71)17-18-42(62)63)56-48(69)39(25-40(51)60)58-47(68)38(24-30-11-15-32(16-12-30)75-76(72,73)74)57-45(66)34(19-20-77-3)54-46(67)37(23-29-9-13-31(59)14-10-29)55-43(64)33(50)22-28-7-5-4-6-8-28/h4-16,27,33-39,59H,17-26,50H2,1-3H3,(H2,51,60)(H,52,65)(H,53,61)(H,54,67)(H,55,64)(H,56,69)(H,57,66)(H,58,68)(H,62,63)(H,70,71)(H2,72,73,74)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
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n/an/an/an/a 1.50E+5n/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Concentration required to stimulate SHP-1 enzymatic activity by 50%


J Med Chem 48: 1528-39 (2005)


Article DOI: 10.1021/jm049151t
BindingDB Entry DOI: 10.7270/Q2FT8KHQ
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50162440
PNG
(CHEMBL371014 | H-Glu-Gly-Leu-Asn-pTyr-Met-Val-Leu-...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(C)C)C(C)C)C(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C42H68N9O16PS/c1-21(2)16-26(43)36(56)51-35(23(5)6)41(61)47-27(14-15-69-7)38(58)49-30(18-24-8-10-25(11-9-24)67-68(64,65)66)39(59)50-31(19-32(44)52)40(60)48-29(17-22(3)4)37(57)45-20-33(53)46-28(42(62)63)12-13-34(54)55/h8-11,21-23,26-31,35H,12-20,43H2,1-7H3,(H2,44,52)(H,45,57)(H,46,53)(H,47,61)(H,48,60)(H,49,58)(H,50,59)(H,51,56)(H,54,55)(H,62,63)(H2,64,65,66)/t26-,27-,28-,29-,30-,31-,35-/m0/s1
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n/an/an/an/a 1.60E+5n/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Concentration required to stimulate SHP-1 enzymatic activity by 50%


J Med Chem 48: 1528-39 (2005)


Article DOI: 10.1021/jm049151t
BindingDB Entry DOI: 10.7270/Q2FT8KHQ
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50162447
PNG
(CHEMBL412918 | H-Glu-Gly-Leu-Asn-pTyr-Met-Val-Abu(...)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](N)C(C)c1ccccc1)C(C)C)C(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C46H68N9O16PS/c1-24(2)20-32(40(60)49-23-36(57)50-31(46(66)67)16-17-37(58)59)52-43(63)34(22-35(47)56)54-42(62)33(21-27-12-14-29(15-13-27)71-72(68,69)70)53-41(61)30(18-19-73-6)51-45(65)39(25(3)4)55-44(64)38(48)26(5)28-10-8-7-9-11-28/h7-15,24-26,30-34,38-39H,16-23,48H2,1-6H3,(H2,47,56)(H,49,60)(H,50,57)(H,51,65)(H,52,63)(H,53,61)(H,54,62)(H,55,64)(H,58,59)(H,66,67)(H2,68,69,70)/t26?,30-,31+,32+,33+,34+,38-,39+/m1/s1
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n/an/an/an/a 1.80E+5n/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Concentration required to stimulate SHP-1 enzymatic activity by 50%


J Med Chem 48: 1528-39 (2005)


Article DOI: 10.1021/jm049151t
BindingDB Entry DOI: 10.7270/Q2FT8KHQ
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50162438
PNG
((S)-2-[2-((S)-2-{(S)-2-[(S)-2-{(S)-2-[(S)-2-((S)-2...)
Show SMILES CC(C)C[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)c1ccccc1)C(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C47H70N9O16P/c1-24(2)19-31(48)41(61)55-39(26(5)6)45(65)56-40(27(7)29-11-9-8-10-12-29)46(66)54-34(21-28-13-15-30(16-14-28)72-73(69,70)71)43(63)53-35(22-36(49)57)44(64)52-33(20-25(3)4)42(62)50-23-37(58)51-32(47(67)68)17-18-38(59)60/h8-16,24-27,31-35,39-40H,17-23,48H2,1-7H3,(H2,49,57)(H,50,62)(H,51,58)(H,52,64)(H,53,63)(H,54,66)(H,55,61)(H,56,65)(H,59,60)(H,67,68)(H2,69,70,71)/t27?,31-,32-,33-,34-,35-,39-,40-/m0/s1
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n/an/an/an/a 2.20E+5n/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Concentration required to stimulate SHP-1 enzymatic activity by 50%


J Med Chem 48: 1528-39 (2005)


Article DOI: 10.1021/jm049151t
BindingDB Entry DOI: 10.7270/Q2FT8KHQ
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50162445
PNG
(CHEMBL386769 | H-Glu-Gly-Leu-Asn-pTyr-Ser(betaPh)-...)
Show SMILES CC(C)C[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(O)c1ccccc1)C(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C46H68N9O17P/c1-23(2)18-29(47)40(61)54-37(25(5)6)44(65)55-38(39(60)27-10-8-7-9-11-27)45(66)53-32(20-26-12-14-28(15-13-26)72-73(69,70)71)42(63)52-33(21-34(48)56)43(64)51-31(19-24(3)4)41(62)49-22-35(57)50-30(46(67)68)16-17-36(58)59/h7-15,23-25,29-33,37-39,60H,16-22,47H2,1-6H3,(H2,48,56)(H,49,62)(H,50,57)(H,51,64)(H,52,63)(H,53,66)(H,54,61)(H,55,65)(H,58,59)(H,67,68)(H2,69,70,71)/t29-,30-,31-,32-,33-,37-,38-,39?/m0/s1
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n/an/an/an/a 2.20E+5n/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Concentration required to stimulate SHP-1 enzymatic activity by 50%


J Med Chem 48: 1528-39 (2005)


Article DOI: 10.1021/jm049151t
BindingDB Entry DOI: 10.7270/Q2FT8KHQ
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50299153
PNG
((Z)-5-{2-[3,5-bis(trifluoromethyl)benzyloxy]-5-bro...)
Show SMILES OC1=NC(=O)C(S1)=Cc1cc(Br)ccc1OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H10BrF6NO3S/c20-13-1-2-14(10(5-13)6-15-16(28)27-17(29)31-15)30-8-9-3-11(18(21,22)23)7-12(4-9)19(24,25)26/h1-7H,8H2,(H,27,28,29)
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2.20E+3n/an/an/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibition of SHP1 catalytic domain expressed in Escherichia coli


Bioorg Med Chem Lett 19: 6161-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.020
BindingDB Entry DOI: 10.7270/Q20P102S
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50219479
PNG
(3,3'-dicarboxy-2,2'-dihydroxy-5,5'-diphenyldipheny...)
Show SMILES OC(=O)c1cc(cc(Cc2cc(cc(C(O)=O)c2O)-c2ccccc2)c1O)-c1ccccc1
Show InChI InChI=1S/C27H20O6/c28-24-20(11-18(14-22(24)26(30)31)16-7-3-1-4-8-16)13-21-12-19(17-9-5-2-6-10-17)15-23(25(21)29)27(32)33/h1-12,14-15,28-29H,13H2,(H,30,31)(H,32,33)
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9.70E+3n/an/an/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibition of SHP-1 catalytic domain


Bioorg Med Chem 15: 6535-48 (2007)


Article DOI: 10.1016/j.bmc.2007.07.010
BindingDB Entry DOI: 10.7270/Q2GM871J
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50208362
PNG
(3-benzyl-5-[(5-benzyl-3-carboxy-4-hydroxycyclohexa...)
Show SMILES OC(=O)C1C=C(Cc2cc(Cc3ccccc3)c(O)c(c2)C(O)=O)CC(Cc2ccccc2)C1=O
Show InChI InChI=1S/C29H26O6/c30-26-22(12-18-7-3-1-4-8-18)14-20(16-24(26)28(32)33)11-21-15-23(13-19-9-5-2-6-10-19)27(31)25(17-21)29(34)35/h1-10,14,16-17,23,25,30H,11-13,15H2,(H,32,33)(H,34,35)
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1.40E+4n/an/an/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibition of SHP-1 catalytic domain


Bioorg Med Chem Lett 17: 2760-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.069
BindingDB Entry DOI: 10.7270/Q2445N91
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50118796
PNG
(6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACID | 6-(...)
Show SMILES OC(=O)C(=O)Nc1cc2[nH]ccc2cc1C(O)=O
Show InChI InChI=1S/C11H8N2O5/c14-9(11(17)18)13-8-4-7-5(1-2-12-7)3-6(8)10(15)16/h1-4,12H,(H,13,14)(H,15,16)(H,17,18)
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1.60E+4n/an/an/an/an/an/an/an/a



University of Miami

Curated by ChEMBL


Assay Description
Inhibition of PTPN6


J Med Chem 52: 6649-59 (2009)


Article DOI: 10.1021/jm9008899
BindingDB Entry DOI: 10.7270/Q29023T5
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50208359
PNG
(5,5'-methylenebis(2-hydroxybiphenyl-3-carboxylic a...)
Show SMILES OC(=O)c1cc(Cc2cc(C(O)=O)c(O)c(c2)-c2ccccc2)cc(c1O)-c1ccccc1
Show InChI InChI=1S/C27H20O6/c28-24-20(18-7-3-1-4-8-18)12-16(14-22(24)26(30)31)11-17-13-21(19-9-5-2-6-10-19)25(29)23(15-17)27(32)33/h1-10,12-15,28-29H,11H2,(H,30,31)(H,32,33)
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1.70E+4n/an/an/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibition of SHP-1 catalytic domain


Bioorg Med Chem Lett 17: 2760-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.069
BindingDB Entry DOI: 10.7270/Q2445N91
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50118751
PNG
(6-(Oxalyl-amino)-1H-indole-7-carboxylic acid | 6-(...)
Show SMILES OC(=O)C(=O)Nc1ccc2cc[nH]c2c1C(O)=O
Show InChI InChI=1S/C11H8N2O5/c14-9(11(17)18)13-6-2-1-5-3-4-12-8(5)7(6)10(15)16/h1-4,12H,(H,13,14)(H,15,16)(H,17,18)
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2.80E+4n/an/an/an/an/an/an/an/a



University of Miami

Curated by ChEMBL


Assay Description
Inhibition of PTPN6


J Med Chem 52: 6649-59 (2009)


Article DOI: 10.1021/jm9008899
BindingDB Entry DOI: 10.7270/Q29023T5
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50119679
PNG
(2-[(S)-2-(2-{2-[4-(2-Bromo-acetyl)-phenoxy]-acetyl...)
Show SMILES OC(=O)CCC(NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)COc1ccc(cc1)C(=O)CBr)C(O)=O
Show InChI InChI=1S/C22H26BrN3O11/c23-9-16(27)12-1-3-13(4-2-12)37-11-18(29)24-10-17(28)25-14(5-7-19(30)31)21(34)26-15(22(35)36)6-8-20(32)33/h1-4,14-15H,5-11H2,(H,24,29)(H,25,28)(H,26,34)(H,30,31)(H,32,33)(H,35,36)/t14-,15?/m0/s1
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2.90E+4n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Dissociation constant of the compound towards SHP 1 receptor-inhibitor complex was determined using PNP as substrate


Bioorg Med Chem Lett 12: 3047-50 (2002)


Article DOI: 10.1016/s0960-894x(02)00681-9
BindingDB Entry DOI: 10.7270/Q2FT8KCX
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50118749
PNG
(2-(Oxalyl-amino)-thiophene-3-carboxylic acid | 2-(...)
Show SMILES OC(=O)C(=O)Nc1sccc1C(O)=O
Show InChI InChI=1S/C7H5NO5S/c9-4(7(12)13)8-5-3(6(10)11)1-2-14-5/h1-2H,(H,8,9)(H,10,11)(H,12,13)
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6.00E+4n/an/an/an/an/an/an/an/a



University of Miami

Curated by ChEMBL


Assay Description
Inhibition of PTPN6


J Med Chem 52: 6649-59 (2009)


Article DOI: 10.1021/jm9008899
BindingDB Entry DOI: 10.7270/Q29023T5
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50118778
PNG
(5-iodo-2-(oxaloamino)benzoic acid | CHEMBL336908)
Show SMILES OC(=O)C(=O)Nc1ccc(I)cc1C(O)=O
Show InChI InChI=1S/C9H6INO5/c10-4-1-2-6(5(3-4)8(13)14)11-7(12)9(15)16/h1-3H,(H,11,12)(H,13,14)(H,15,16)
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8.00E+4n/an/an/an/an/an/an/an/a



University of Miami

Curated by ChEMBL


Assay Description
Inhibition of PTPN6


J Med Chem 52: 6649-59 (2009)


Article DOI: 10.1021/jm9008899
BindingDB Entry DOI: 10.7270/Q29023T5
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50299462
PNG
(2-(3-(dihydroxymethyl)naphthalen-2-ylamino)-2-oxoa...)
Show SMILES OC(O)c1cc2ccccc2cc1NC(=O)C(O)=O
Show InChI InChI=1S/C13H11NO5/c15-11(13(18)19)14-10-6-8-4-2-1-3-7(8)5-9(10)12(16)17/h1-6,12,16-17H,(H,14,15)(H,18,19)
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9.40E+4n/an/an/an/an/an/an/an/a



University of Miami

Curated by ChEMBL


Assay Description
Inhibition of PTPN6


J Med Chem 52: 6649-59 (2009)


Article DOI: 10.1021/jm9008899
BindingDB Entry DOI: 10.7270/Q29023T5
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50118762
PNG
(2-(Oxalyl-amino)-4,5,6,7-tetrahydro-benzo[b]thioph...)
Show SMILES OC(=O)C(=O)Nc1sc2CCCCc2c1C(O)=O
Show InChI InChI=1S/C11H11NO5S/c13-8(11(16)17)12-9-7(10(14)15)5-3-1-2-4-6(5)18-9/h1-4H2,(H,12,13)(H,14,15)(H,16,17)
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1.00E+5n/an/an/an/an/an/an/an/a



University of Miami

Curated by ChEMBL


Assay Description
Inhibition of PTPN6


J Med Chem 52: 6649-59 (2009)


Article DOI: 10.1021/jm9008899
BindingDB Entry DOI: 10.7270/Q29023T5
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50119683
PNG
(2-[(S)-2-(2-{[4'-(2-Bromo-acetyl)-biphenyl-2-carbo...)
Show SMILES OC(=O)CCC(NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)c1ccccc1-c1ccc(cc1)C(=O)CBr)C(O)=O
Show InChI InChI=1S/C27H28BrN3O10/c28-13-21(32)16-7-5-15(6-8-16)17-3-1-2-4-18(17)25(38)29-14-22(33)30-19(9-11-23(34)35)26(39)31-20(27(40)41)10-12-24(36)37/h1-8,19-20H,9-14H2,(H,29,38)(H,30,33)(H,31,39)(H,34,35)(H,36,37)(H,40,41)/t19-,20?/m0/s1
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>2.00E+5n/an/an/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Dissociation constant of the compound towards SHP 1 receptor-inhibitor complex was determined using PNP as substrate


Bioorg Med Chem Lett 12: 3047-50 (2002)


Article DOI: 10.1016/s0960-894x(02)00681-9
BindingDB Entry DOI: 10.7270/Q2FT8KCX
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50299461
PNG
((S)-7-(1,1-Dioxo-1H-1lambda*6*-benzo[d]isothiazol-...)
Show SMILES OC(=O)C(=O)Nc1sc2[C@H](COC3=NS(=O)(=O)c4ccccc34)OCCc2c1C(O)=O
Show InChI InChI=1S/C18H14N2O9S2/c21-14(18(24)25)19-16-12(17(22)23)9-5-6-28-10(13(9)30-16)7-29-15-8-3-1-2-4-11(8)31(26,27)20-15/h1-4,10H,5-7H2,(H,19,21)(H,22,23)(H,24,25)/t10-/m0/s1
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2.89E+5n/an/an/an/an/an/an/an/a



University of Miami

Curated by ChEMBL


Assay Description
Inhibition of PTPN6


J Med Chem 52: 6649-59 (2009)


Article DOI: 10.1021/jm9008899
BindingDB Entry DOI: 10.7270/Q29023T5
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50118744
PNG
(2-(Oxalyl-amino)-4,7-dihydro-5H-thieno[2,3-c]pyran...)
Show SMILES OC(=O)C(=O)Nc1sc2COCCc2c1C(O)=O
Show InChI InChI=1S/C10H9NO6S/c12-7(10(15)16)11-8-6(9(13)14)4-1-2-17-3-5(4)18-8/h1-3H2,(H,11,12)(H,13,14)(H,15,16)
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3.50E+5n/an/an/an/an/an/an/an/a



University of Miami

Curated by ChEMBL


Assay Description
Inhibition of PTPN6


J Med Chem 52: 6649-59 (2009)


Article DOI: 10.1021/jm9008899
BindingDB Entry DOI: 10.7270/Q29023T5
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50118789
PNG
(2-(oxaloamino)benzoic acid | CHEMBL139050)
Show SMILES OC(=O)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C9H7NO5/c11-7(9(14)15)10-6-4-2-1-3-5(6)8(12)13/h1-4H,(H,10,11)(H,12,13)(H,14,15)
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5.10E+5n/an/an/an/an/an/an/an/a



University of Miami

Curated by ChEMBL


Assay Description
Inhibition of PTPN6


J Med Chem 52: 6649-59 (2009)


Article DOI: 10.1021/jm9008899
BindingDB Entry DOI: 10.7270/Q29023T5
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50118779
PNG
(3-(Oxalyl-amino)-thiophene-2-carboxylic acid | 3-(...)
Show SMILES OC(=O)C(=O)Nc1ccsc1C(O)=O
Show InChI InChI=1S/C7H5NO5S/c9-5(7(12)13)8-3-1-2-14-4(3)6(10)11/h1-2H,(H,8,9)(H,10,11)(H,12,13)
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>2.00E+6n/an/an/an/an/an/an/an/a



University of Miami

Curated by ChEMBL


Assay Description
Inhibition of PTPN6


J Med Chem 52: 6649-59 (2009)


Article DOI: 10.1021/jm9008899
BindingDB Entry DOI: 10.7270/Q29023T5
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50118792
PNG
(2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]P...)
Show SMILES OC(=O)C(=O)Nc1sc2CNCCc2c1C(O)=O
Show InChI InChI=1S/C10H10N2O5S/c13-7(10(16)17)12-8-6(9(14)15)4-1-2-11-3-5(4)18-8/h11H,1-3H2,(H,12,13)(H,14,15)(H,16,17)
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>2.00E+6n/an/an/an/an/an/an/an/a



University of Miami

Curated by ChEMBL


Assay Description
Inhibition of PTPN6


J Med Chem 52: 6649-59 (2009)


Article DOI: 10.1021/jm9008899
BindingDB Entry DOI: 10.7270/Q29023T5
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM53072
PNG
((5Z)-3-allyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene...)
Show SMILES CCN1\C(Sc2ccccc12)=C1\SC(=S)N(CC=C)C1=O
Show InChI InChI=1S/C15H14N2OS3/c1-3-9-17-13(18)12(21-15(17)19)14-16(4-2)10-7-5-6-8-11(10)20-14/h3,5-8H,1,4,9H2,2H3/b14-12-
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n/an/a 3.95E+4n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged SHP1 PTP domain (unknown origin) using phospho-EGFR Asp-Ala-Asp-Glu-Tyr[PO3H2]-Leu-Ile-Pro-Gln-Gln-Gly as substrate preincub...


J Med Chem 56: 7212-21 (2013)


Article DOI: 10.1021/jm400474r
BindingDB Entry DOI: 10.7270/Q2CZ38M6
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50391428
PNG
(CHEMBL1358724)
Show SMILES CC1COC2=C1C(=O)C(=O)c1c2ccc2c(C)cccc12
Show InChI InChI=1S/C18H14O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-7,10H,8H2,1-2H3
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n/an/a 3.67E+3n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged SHP1 PTP domain (unknown origin) using phospho-EGFR Asp-Ala-Asp-Glu-Tyr[PO3H2]-Leu-Ile-Pro-Gln-Gln-Gly as substrate preincub...


J Med Chem 56: 7212-21 (2013)


Article DOI: 10.1021/jm400474r
BindingDB Entry DOI: 10.7270/Q2CZ38M6
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM51317
PNG
(1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-dion...)
Show SMILES Cc1coc-2c1C(=O)C(=O)c1c-2ccc2c(C)cccc12
Show InChI InChI=1S/C18H12O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-8H,1-2H3
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n/an/a 1.97E+3n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged SHP1 PTP domain (unknown origin) using phospho-EGFR Asp-Ala-Asp-Glu-Tyr[PO3H2]-Leu-Ile-Pro-Gln-Gln-Gly as substrate preincub...


J Med Chem 56: 7212-21 (2013)


Article DOI: 10.1021/jm400474r
BindingDB Entry DOI: 10.7270/Q2CZ38M6
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM83922
PNG
(1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]be...)
Show SMILES Cc1coc-2c1C(=O)C(=O)c1c3CCCC(C)(C)c3ccc-21
Show InChI InChI=1S/C19H18O3/c1-10-9-22-18-12-6-7-13-11(5-4-8-19(13,2)3)15(12)17(21)16(20)14(10)18/h6-7,9H,4-5,8H2,1-3H3
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n/an/a 2.14E+3n/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged SHP1 PTP domain (unknown origin) using phospho-EGFR Asp-Ala-Asp-Glu-Tyr[PO3H2]-Leu-Ile-Pro-Gln-Gln-Gly as substrate preincub...


J Med Chem 56: 7212-21 (2013)


Article DOI: 10.1021/jm400474r
BindingDB Entry DOI: 10.7270/Q2CZ38M6
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-1


(Homo sapiens (human))
BDBM24531
PNG
((3Z)-3-[2-(2-nitrophenyl)hydrazin-1-ylidene]-2-oxo...)
Show SMILES OS([O-])(=O)=c1ccc2[nH+]c(=O)\c(=N/Nc3ccccc3[N+]([O-])=O)c2c1
Show InChI InChI=1S/C14H10N4O6S/c19-14-13(17-16-11-3-1-2-4-12(11)18(20)21)9-7-8(25(22,23)24)5-6-10(9)15-14/h1-7,16H,(H2,22,23,24)/b17-13-
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n/an/a 6.80E+4n/an/an/an/a7.022



Moffitt Cancer Center



Assay Description
PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test com...


J Med Chem 51: 4948-56 (2008)


Article DOI: 10.1021/jm8002526
BindingDB Entry DOI: 10.7270/Q2XD0ZZ8
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-1


(Homo sapiens (human))
BDBM24533
PNG
((3Z)-3-[2-(2-carboxyphenyl)hydrazin-1-ylidene]-2-o...)
Show SMILES OC(=O)c1ccc2NC(=O)C(=NNc3ccccc3C(O)=O)c2c1
Show InChI InChI=1S/C16H11N3O5/c20-14-13(10-7-8(15(21)22)5-6-11(10)17-14)19-18-12-4-2-1-3-9(12)16(23)24/h1-7,18H,(H,21,22)(H,23,24)(H,17,19,20)
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n/an/a 1.54E+4n/an/an/an/a7.022



Moffitt Cancer Center



Assay Description
PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test com...


J Med Chem 51: 4948-56 (2008)


Article DOI: 10.1021/jm8002526
BindingDB Entry DOI: 10.7270/Q2XD0ZZ8
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-1


(Homo sapiens (human))
BDBM24534
PNG
((3Z)-3-[2-(3-carboxyphenyl)hydrazin-1-ylidene]-2-o...)
Show SMILES OC(=O)c1ccc2NC(=O)C(=NNc3cccc(c3)C(O)=O)c2c1
Show InChI InChI=1S/C16H11N3O5/c20-14-13(11-7-9(16(23)24)4-5-12(11)17-14)19-18-10-3-1-2-8(6-10)15(21)22/h1-7,18H,(H,21,22)(H,23,24)(H,17,19,20)
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n/an/a 7.25E+4n/an/an/an/a7.022



Moffitt Cancer Center



Assay Description
PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test com...


J Med Chem 51: 4948-56 (2008)


Article DOI: 10.1021/jm8002526
BindingDB Entry DOI: 10.7270/Q2XD0ZZ8
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-1


(Homo sapiens (human))
BDBM24535
PNG
(3-{2-[(3Z)-5-{[(4-chlorophenyl)methyl]carbamoyl}-2...)
Show SMILES OC(=O)c1cccc(NN=C2C(=O)Nc3ccc(cc23)C(=O)NCc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C23H17ClN4O4/c24-16-7-4-13(5-8-16)12-25-21(29)14-6-9-19-18(11-14)20(22(30)26-19)28-27-17-3-1-2-15(10-17)23(31)32/h1-11,27H,12H2,(H,25,29)(H,31,32)(H,26,28,30)
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n/an/a 1.94E+4n/an/an/an/a7.022



Moffitt Cancer Center



Assay Description
PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test com...


J Med Chem 51: 4948-56 (2008)


Article DOI: 10.1021/jm8002526
BindingDB Entry DOI: 10.7270/Q2XD0ZZ8
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-1


(Homo sapiens (human))
BDBM24536
PNG
(3-{2-[(3Z)-2-oxo-5-(propan-2-ylsulfamoyl)-2,3-dihy...)
Show SMILES CC(C)NS(=O)(=O)c1ccc2NC(=O)C(=NNc3cccc(c3)C(O)=O)c2c1
Show InChI InChI=1S/C18H18N4O5S/c1-10(2)22-28(26,27)13-6-7-15-14(9-13)16(17(23)19-15)21-20-12-5-3-4-11(8-12)18(24)25/h3-10,20,22H,1-2H3,(H,24,25)(H,19,21,23)
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n/an/a 1.57E+4n/an/an/an/a7.022



Moffitt Cancer Center



Assay Description
PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test com...


J Med Chem 51: 4948-56 (2008)


Article DOI: 10.1021/jm8002526
BindingDB Entry DOI: 10.7270/Q2XD0ZZ8
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-1


(Homo sapiens (human))
BDBM24537
PNG
(4-{2-[(3Z)-2-oxo-5-(propan-2-ylsulfamoyl)-2,3-dihy...)
Show SMILES CC(C)NS(=O)(=O)c1ccc2NC(=O)C(=NNc3ccc(cc3)C(O)=O)c2c1
Show InChI InChI=1S/C18H18N4O5S/c1-10(2)22-28(26,27)13-7-8-15-14(9-13)16(17(23)19-15)21-20-12-5-3-11(4-6-12)18(24)25/h3-10,20,22H,1-2H3,(H,24,25)(H,19,21,23)
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n/an/a 2.77E+4n/an/an/an/a7.022



Moffitt Cancer Center



Assay Description
PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test com...


J Med Chem 51: 4948-56 (2008)


Article DOI: 10.1021/jm8002526
BindingDB Entry DOI: 10.7270/Q2XD0ZZ8
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-1


(Homo sapiens (human))
BDBM24538
PNG
((3Z)-3-[2-(2-nitrophenyl)hydrazin-1-ylidene]-2-oxo...)
Show SMILES NS(=O)(=O)c1ccc2NC(=O)C(=NNc3ccccc3[N+]([O-])=O)c2c1
Show InChI InChI=1S/C14H11N5O5S/c15-25(23,24)8-5-6-10-9(7-8)13(14(20)16-10)18-17-11-3-1-2-4-12(11)19(21)22/h1-7,17H,(H2,15,23,24)(H,16,18,20)
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n/an/a 1.04E+5n/an/an/an/a7.022



Moffitt Cancer Center



Assay Description
PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test com...


J Med Chem 51: 4948-56 (2008)


Article DOI: 10.1021/jm8002526
BindingDB Entry DOI: 10.7270/Q2XD0ZZ8
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-1


(Homo sapiens (human))
BDBM24539
PNG
((3Z)-N-[(4-chlorophenyl)methyl]-3-[2-(2-nitropheny...)
Show SMILES [O-][N+](=O)c1ccccc1NN=C1C(=O)Nc2ccc(cc12)S(=O)(=O)NCc1ccc(Cl)cc1
Show InChI InChI=1S/C21H16ClN5O5S/c22-14-7-5-13(6-8-14)12-23-33(31,32)15-9-10-17-16(11-15)20(21(28)24-17)26-25-18-3-1-2-4-19(18)27(29)30/h1-11,23,25H,12H2,(H,24,26,28)
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n/an/a 4.09E+4n/an/an/an/a7.022



Moffitt Cancer Center



Assay Description
PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test com...


J Med Chem 51: 4948-56 (2008)


Article DOI: 10.1021/jm8002526
BindingDB Entry DOI: 10.7270/Q2XD0ZZ8
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-1


(Homo sapiens (human))
BDBM24540
PNG
(3-{2-[(3Z)-5-{[(4-methylphenyl)methyl]sulfamoyl}-2...)
Show SMILES Cc1ccc(CNS(=O)(=O)c2ccc3NC(=O)C(=NNc4cccc(c4)C(O)=O)c3c2)cc1
Show InChI InChI=1S/C23H20N4O5S/c1-14-5-7-15(8-6-14)13-24-33(31,32)18-9-10-20-19(12-18)21(22(28)25-20)27-26-17-4-2-3-16(11-17)23(29)30/h2-12,24,26H,13H2,1H3,(H,29,30)(H,25,27,28)
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n/an/a 3.26E+4n/an/an/an/an/an/a



Moffitt Cancer Center



Assay Description
PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test com...


J Med Chem 51: 4948-56 (2008)


Article DOI: 10.1021/jm8002526
BindingDB Entry DOI: 10.7270/Q2XD0ZZ8
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-1


(Homo sapiens (human))
BDBM24541
PNG
(4-{2-[(3Z)-5-(benzylsulfamoyl)-2-oxo-2,3-dihydro-1...)
Show SMILES OC(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)S(=O)(=O)NCc2ccccc2)cc1
Show InChI InChI=1S/C22H18N4O5S/c27-21-20(26-25-16-8-6-15(7-9-16)22(28)29)18-12-17(10-11-19(18)24-21)32(30,31)23-13-14-4-2-1-3-5-14/h1-12,23,25H,13H2,(H,28,29)(H,24,26,27)
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n/an/a 7.10E+3n/an/an/an/an/an/a



Moffitt Cancer Center



Assay Description
PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test com...


J Med Chem 51: 4948-56 (2008)


Article DOI: 10.1021/jm8002526
BindingDB Entry DOI: 10.7270/Q2XD0ZZ8
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-1


(Homo sapiens (human))
BDBM24542
PNG
(3-{2-[(3Z)-5-{[(3-chlorophenyl)methyl]sulfamoyl}-2...)
Show SMILES OC(=O)c1cccc(NN=C2C(=O)Nc3ccc(cc23)S(=O)(=O)NCc2cccc(Cl)c2)c1
Show InChI InChI=1S/C22H17ClN4O5S/c23-15-5-1-3-13(9-15)12-24-33(31,32)17-7-8-19-18(11-17)20(21(28)25-19)27-26-16-6-2-4-14(10-16)22(29)30/h1-11,24,26H,12H2,(H,29,30)(H,25,27,28)
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n/an/a 4.25E+4n/an/an/an/an/an/a



Moffitt Cancer Center



Assay Description
PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test com...


J Med Chem 51: 4948-56 (2008)


Article DOI: 10.1021/jm8002526
BindingDB Entry DOI: 10.7270/Q2XD0ZZ8
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-1


(Homo sapiens (human))
BDBM24543
PNG
(3-{2-[(3Z)-5-{[(4-chlorophenyl)methyl]sulfamoyl}-2...)
Show SMILES OC(=O)c1cccc(NN=C2C(=O)Nc3ccc(cc23)S(=O)(=O)NCc2ccc(Cl)cc2)c1
Show InChI InChI=1S/C22H17ClN4O5S/c23-15-6-4-13(5-7-15)12-24-33(31,32)17-8-9-19-18(11-17)20(21(28)25-19)27-26-16-3-1-2-14(10-16)22(29)30/h1-11,24,26H,12H2,(H,29,30)(H,25,27,28)
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n/an/a 1.80E+4n/an/an/an/an/an/a



Moffitt Cancer Center



Assay Description
PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test com...


J Med Chem 51: 4948-56 (2008)


Article DOI: 10.1021/jm8002526
BindingDB Entry DOI: 10.7270/Q2XD0ZZ8
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-1


(Homo sapiens (human))
BDBM24544
PNG
(4-{2-[(3Z)-5-{[(4-chlorophenyl)methyl]sulfamoyl}-2...)
Show SMILES OC(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)S(=O)(=O)NCc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C22H17ClN4O5S/c23-15-5-1-13(2-6-15)12-24-33(31,32)17-9-10-19-18(11-17)20(21(28)25-19)27-26-16-7-3-14(4-8-16)22(29)30/h1-11,24,26H,12H2,(H,29,30)(H,25,27,28)
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n/an/a 1.81E+4n/an/an/an/an/an/a



Moffitt Cancer Center



Assay Description
PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test com...


J Med Chem 51: 4948-56 (2008)


Article DOI: 10.1021/jm8002526
BindingDB Entry DOI: 10.7270/Q2XD0ZZ8
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-1


(Homo sapiens (human))
BDBM24545
PNG
(4-{2-[(3Z)-5-{[(2-chlorophenyl)methyl]sulfamoyl}-2...)
Show SMILES OC(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)S(=O)(=O)NCc2ccccc2Cl)cc1
Show InChI InChI=1S/C22H17ClN4O5S/c23-18-4-2-1-3-14(18)12-24-33(31,32)16-9-10-19-17(11-16)20(21(28)25-19)27-26-15-7-5-13(6-8-15)22(29)30/h1-11,24,26H,12H2,(H,29,30)(H,25,27,28)
PDB
MMDB

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Article
PubMed
n/an/a 6.08E+4n/an/an/an/an/an/a



Moffitt Cancer Center



Assay Description
PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test com...


J Med Chem 51: 4948-56 (2008)


Article DOI: 10.1021/jm8002526
BindingDB Entry DOI: 10.7270/Q2XD0ZZ8
More data for this
Ligand-Target Pair
Protein-Tyrosine Phosphatase SHP-1


(Homo sapiens (human))
BDBM24546
PNG
(3-{2-[(3Z)-5-{[(2-chlorophenyl)methyl]sulfamoyl}-2...)
Show SMILES OC(=O)c1cccc(NN=C2C(=O)Nc3ccc(cc23)S(=O)(=O)NCc2ccccc2Cl)c1
Show InChI InChI=1S/C22H17ClN4O5S/c23-18-7-2-1-4-14(18)12-24-33(31,32)16-8-9-19-17(11-16)20(21(28)25-19)27-26-15-6-3-5-13(10-15)22(29)30/h1-11,24,26H,12H2,(H,29,30)(H,25,27,28)
PDB
MMDB

NCI pathway
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KEGG

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UniChem

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Article
PubMed
n/an/a 1.59E+4n/an/an/an/an/an/a



Moffitt Cancer Center



Assay Description
PTP activity was measured in a black 96-well plate. Reaction was initiated by addition of the substrate DiFMUP to enzyme mixtures containing test com...


J Med Chem 51: 4948-56 (2008)


Article DOI: 10.1021/jm8002526
BindingDB Entry DOI: 10.7270/Q2XD0ZZ8
More data for this
Ligand-Target Pair
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