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Compile Data Set for Download or QSAR

Found 16 hits of kd for UniProtKB: P29350   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein phosphatase non-receptor type 6


(Homo sapiens (Human))
BDBM50162441
PNG
((4S)-4-amino-4-[({[(1S)-1-{[(7R,10R,13S,16S)-7-{[(...)
Show SMILES CSCC[C@H]1NC(=O)[C@H](Cc2ccc(OP(O)(O)=O)cc2)NC(=O)[C@H](CCCCNC(=O)NCC(=O)C[C@@H](NC1=O)C(=O)N[C@@H](CC(C)C)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](N)CCC(O)=O
Show InChI InChI=1S/C45H71N10O17PS/c1-24(2)18-32(50-36(57)23-48-38(60)29(46)13-14-37(58)59)41(63)51-30-8-6-7-16-47-45(68)49-22-27(56)21-34(43(65)55-35(44(66)67)19-25(3)4)54-40(62)31(15-17-74-5)52-42(64)33(53-39(30)61)20-26-9-11-28(12-10-26)72-73(69,70)71/h9-12,24-25,29-35H,6-8,13-23,46H2,1-5H3,(H,48,60)(H,50,57)(H,51,63)(H,52,64)(H,53,61)(H,54,62)(H,55,65)(H,58,59)(H,66,67)(H2,47,49,68)(H2,69,70,71)/t29-,30-,31+,32-,33-,34+,35-/m0/s1
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n/an/an/a 110n/an/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Dissociation constant for the interaction of the compound with the GST-N-SH2 domain of SHP-1


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
Tyrosine-protein phosphatase non-receptor type 6


(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/a 120n/an/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Dissociation constant for the interaction of the compound with the GST-N-SH2 domain of SHP-1


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
Tyrosine-protein phosphatase non-receptor type 6


(Homo sapiens (Human))
BDBM50162437
PNG
((4S)-4-amino-4-[({[(1S)-1-{[(8R,11R,14S,17S)-8-{[(...)
Show SMILES CSCC[C@H]1NC(=O)[C@H](Cc2ccc(OP(O)(O)=O)cc2)NC(=O)[C@H](CCCCNC(=O)NCC(=O)CC[C@@H](NC1=O)C(=O)N[C@@H](CC(C)C)C(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](N)CCC(O)=O
Show InChI InChI=1S/C46H73N10O17PS/c1-25(2)20-34(51-37(58)24-49-39(61)30(47)14-16-38(59)60)43(65)52-31-8-6-7-18-48-46(69)50-23-28(57)11-15-32(41(63)56-36(45(67)68)21-26(3)4)53-42(64)33(17-19-75-5)54-44(66)35(55-40(31)62)22-27-9-12-29(13-10-27)73-74(70,71)72/h9-10,12-13,25-26,30-36H,6-8,11,14-24,47H2,1-5H3,(H,49,61)(H,51,58)(H,52,65)(H,53,64)(H,54,66)(H,55,62)(H,56,63)(H,59,60)(H,67,68)(H2,48,50,69)(H2,70,71,72)/t30-,31-,32+,33+,34-,35-,36-/m0/s1
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n/an/an/a 210n/an/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Dissociation constant for the interaction of the compound with the GST-N-SH2 domain of SHP-1


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
Tyrosine-protein phosphatase non-receptor type 6


(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/a 230n/an/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Dissociation constant for the interaction of the compound with the GST-N-SH2 domain of SHP-1


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
Tyrosine-protein phosphatase non-receptor type 6


(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/a 240n/an/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Dissociation constant for the interaction of the compound with the GST-N-SH2 domain of SHP-1


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
Tyrosine-protein phosphatase non-receptor type 6


(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/a 240n/an/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Dissociation constant for the interaction of the compound with the GST-N-SH2 domain of SHP-1


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
Tyrosine-protein phosphatase non-receptor type 6


(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/a 250n/an/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Dissociation constant for the interaction of the compound with the GST-N-SH2 domain of SHP-1


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
Tyrosine-protein phosphatase non-receptor type 6


(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/a 270n/an/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Dissociation constant for the interaction of the compound with the GST-N-SH2 domain of SHP-1


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
Tyrosine-protein phosphatase non-receptor type 6


(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/a 290n/an/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Dissociation constant for the interaction of the compound with the GST-N-SH2 domain of SHP-1


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
Tyrosine-protein phosphatase non-receptor type 6


(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/a 530n/an/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Dissociation constant for the interaction of the compound with the GST-N-SH2 domain of SHP-1


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
Tyrosine-protein phosphatase non-receptor type 6


(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/a 690n/an/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Dissociation constant for the interaction of the compound with the GST-N-SH2 domain of SHP-1


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
Tyrosine-protein phosphatase non-receptor type 6


(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/a 900n/an/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Dissociation constant for the interaction of the compound with the GST-N-SH2 domain of SHP-1


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
Tyrosine-protein phosphatase non-receptor type 6


(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/a 1.00E+3n/an/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Dissociation constant for the interaction of the compound with the GST-N-SH2 domain of SHP-1


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
Tyrosine-protein phosphatase non-receptor type 6


(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/a 1.08E+3n/an/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Dissociation constant for the interaction of the compound with the GST-N-SH2 domain of SHP-1


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
Tyrosine-protein phosphatase non-receptor type 6


(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/a 1.44E+3n/an/an/an/an/a



Friedrich-Schiller-University

Curated by ChEMBL


Assay Description
Dissociation constant for the interaction of the compound with the GST-N-SH2 domain of SHP-1


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
Tyrosine-protein phosphatase non-receptor type 6


(Homo sapiens (Human))
BDBM50098803
PNG
(CHEMBL3329937)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)CN)C(C)(C)C)[C@@H](C)CC)C(C)(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N1[C@@H](CSC1(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
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n/an/an/a>1.50E+4n/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Binding affinity to SHP1 (unknown origin)


J Med Chem 57: 7792-7 (2014)


Article DOI: 10.1021/jm500743t
BindingDB Entry DOI: 10.7270/Q21G0P1G
More data for this
Ligand-Target Pair