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Compile Data Set for Download or QSAR

Found 63 hits with Last Name = 'fivash' and Initial = 'mj'   
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
Tumor susceptibility gene 101 protein


(Homo sapiens (Human))
BDBM50362892
PNG
(CHEMBL1946564)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(C)=O)O\N=C\c1ccc-2c(Cc3ccccc-23)c1)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C58H75N11O18/c1-30(56(84)68-24-8-13-44(68)58(86)67-23-7-12-43(67)53(81)63-40(17-20-47(74)75)51(79)62-39(50(59)78)16-19-46(72)73)61-55(83)49(31(2)70)65-54(82)45-27-36(87-60-28-33-14-15-38-35(25-33)26-34-9-4-5-10-37(34)38)29-69(45)57(85)41(18-21-48(76)77)64-52(80)42-11-6-22-66(42)32(3)71/h4-5,9-10,14-15,25,28,30-31,36,39-45,49,70H,6-8,11-13,16-24,26-27,29H2,1-3H3,(H2,59,78)(H,61,83)(H,62,79)(H,63,81)(H,64,80)(H,65,82)(H,72,73)(H,74,75)(H,76,77)/b60-28+/t30-,31+,36+,39-,40-,41-,42-,43-,44-,45-,49-/m0/s1
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2.60E+3n/an/an/an/an/an/an/an/a



NCI-Frederick

Curated by ChEMBL


Assay Description
Displacement of FITC-conjugated (S)-4-((S)-1-acetylpyrrolidine-2-carboxamido)-5-((2S,4R)-2-((2S,3R)-1-((S)-1-((S)-2-((S)-2-((S)-1-((S)-1-amino-4-carb...


ACS Med Chem Lett 2: 337-341 (2011)


Article DOI: 10.1021/ml1002579
BindingDB Entry DOI: 10.7270/Q22B8ZF4
More data for this
Ligand-Target Pair
Tumor susceptibility gene 101 protein


(Homo sapiens (Human))
BDBM50362891
PNG
(CHEMBL1946260)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(C)=O)O\N=C\c1ccc(OC(=O)c2ccc3OCOc3c2)cc1)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C59H75N11O22/c1-30(56(85)69-24-6-9-42(69)58(87)68-23-5-8-41(68)53(82)64-38(16-20-47(75)76)51(80)63-37(50(60)79)15-19-46(73)74)62-55(84)49(31(2)71)66-54(83)43-26-36(28-70(43)57(86)39(17-21-48(77)78)65-52(81)40-7-4-22-67(40)32(3)72)92-61-27-33-10-13-35(14-11-33)91-59(88)34-12-18-44-45(25-34)90-29-89-44/h10-14,18,25,27,30-31,36-43,49,71H,4-9,15-17,19-24,26,28-29H2,1-3H3,(H2,60,79)(H,62,84)(H,63,80)(H,64,82)(H,65,81)(H,66,83)(H,73,74)(H,75,76)(H,77,78)/b61-27+/t30-,31+,36+,37-,38-,39-,40-,41-,42-,43-,49-/m0/s1
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2.70E+3n/an/an/an/an/an/an/an/a



NCI-Frederick

Curated by ChEMBL


Assay Description
Displacement of FITC-conjugated (S)-4-((S)-1-acetylpyrrolidine-2-carboxamido)-5-((2S,4R)-2-((2S,3R)-1-((S)-1-((S)-2-((S)-2-((S)-1-((S)-1-amino-4-carb...


ACS Med Chem Lett 2: 337-341 (2011)


Article DOI: 10.1021/ml1002579
BindingDB Entry DOI: 10.7270/Q22B8ZF4
More data for this
Ligand-Target Pair
Tumor susceptibility gene 101 protein


(Homo sapiens (Human))
BDBM50362890
PNG
(CHEMBL1946259)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(C)=O)O\N=C\c1ccc(o1)-c1nc2ccccc2s1)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C56H72N12O19S/c1-28(54(83)67-24-8-12-39(67)56(85)66-23-7-11-38(66)50(80)61-35(16-20-44(73)74)48(78)60-34(47(57)77)15-19-43(71)72)59-52(82)46(29(2)69)64-51(81)40-25-32(87-58-26-31-14-18-41(86-31)53-63-33-9-4-5-13-42(33)88-53)27-68(40)55(84)36(17-21-45(75)76)62-49(79)37-10-6-22-65(37)30(3)70/h4-5,9,13-14,18,26,28-29,32,34-40,46,69H,6-8,10-12,15-17,19-25,27H2,1-3H3,(H2,57,77)(H,59,82)(H,60,78)(H,61,80)(H,62,79)(H,64,81)(H,71,72)(H,73,74)(H,75,76)/b58-26+/t28-,29+,32+,34-,35-,36-,37-,38-,39-,40-,46-/m0/s1
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5.40E+3n/an/an/an/an/an/an/an/a



NCI-Frederick

Curated by ChEMBL


Assay Description
Displacement of FITC-conjugated (S)-4-((S)-1-acetylpyrrolidine-2-carboxamido)-5-((2S,4R)-2-((2S,3R)-1-((S)-1-((S)-2-((S)-2-((S)-1-((S)-1-amino-4-carb...


ACS Med Chem Lett 2: 337-341 (2011)


Article DOI: 10.1021/ml1002579
BindingDB Entry DOI: 10.7270/Q22B8ZF4
More data for this
Ligand-Target Pair
Tumor susceptibility gene 101 protein


(Homo sapiens (Human))
BDBM50362889
PNG
(CHEMBL1946129)
Show SMILES COc1ccc(\C=N\O[C@@H]2C[C@H](N(C2)C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O)cc1OC |r|
Show InChI InChI=1S/C53H75N11O20/c1-27(51(79)63-22-8-11-37(63)53(81)62-21-7-10-36(62)48(76)58-33(14-18-42(69)70)46(74)57-32(45(54)73)13-17-41(67)68)56-50(78)44(28(2)65)60-49(77)38-24-31(84-55-25-30-12-16-39(82-4)40(23-30)83-5)26-64(38)52(80)34(15-19-43(71)72)59-47(75)35-9-6-20-61(35)29(3)66/h12,16,23,25,27-28,31-38,44,65H,6-11,13-15,17-22,24,26H2,1-5H3,(H2,54,73)(H,56,78)(H,57,74)(H,58,76)(H,59,75)(H,60,77)(H,67,68)(H,69,70)(H,71,72)/b55-25+/t27-,28+,31+,32-,33-,34-,35-,36-,37-,38-,44-/m0/s1
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8.70E+3n/an/an/an/an/an/an/an/a



NCI-Frederick

Curated by ChEMBL


Assay Description
Displacement of FITC-conjugated (S)-4-((S)-1-acetylpyrrolidine-2-carboxamido)-5-((2S,4R)-2-((2S,3R)-1-((S)-1-((S)-2-((S)-2-((S)-1-((S)-1-amino-4-carb...


ACS Med Chem Lett 2: 337-341 (2011)


Article DOI: 10.1021/ml1002579
BindingDB Entry DOI: 10.7270/Q22B8ZF4
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens (Human))
BDBM50276388
PNG
(4-((S)-2-acetamido-3-((S)-5-amino-1-((2-((S)-1-ami...)
Show SMILES CC(C)C[C@H](NC(=O)CN(CCC=C)C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(N)=O |r|
Show InChI InChI=1S/C28H43N6O10P/c1-5-6-13-34(16-25(37)32-22(26(30)38)14-17(2)3)28(40)21(11-12-24(29)36)33-27(39)23(31-18(4)35)15-19-7-9-20(10-8-19)44-45(41,42)43/h5,7-10,17,21-23H,1,6,11-16H2,2-4H3,(H2,29,36)(H2,30,38)(H,31,35)(H,32,37)(H,33,39)(H2,41,42,43)/t21-,22-,23-/m0/s1
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n/an/a 6.00E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Displacement of FITC-tagged NH-(CH2)4-CO-phospho-tyrosine-glutamine-glycine-leucine-serine-amide from Shc Src homology 2 domain (unknown origin) by f...


J Med Chem 52: 1612-8 (2009)


Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens (Human))
BDBM50276339
PNG
(4-((2S,5S,11S,14S)-2-acetamido-5-(3-amino-3-oxopro...)
Show SMILES CC(C)C[C@H](NC(=O)CN(CCC=C)C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N[C@@H](CO)C(=O)NCCC=C |r|
Show InChI InChI=1S/C35H54N7O12P/c1-6-8-16-37-32(47)29(21-43)41-33(48)27(18-22(3)4)39-31(46)20-42(17-9-7-2)35(50)26(14-15-30(36)45)40-34(49)28(38-23(5)44)19-24-10-12-25(13-11-24)54-55(51,52)53/h6-7,10-13,22,26-29,43H,1-2,8-9,14-21H2,3-5H3,(H2,36,45)(H,37,47)(H,38,44)(H,39,46)(H,40,49)(H,41,48)(H2,51,52,53)/t26-,27-,28-,29-/m0/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Displacement of FITC-tagged NH-(CH2)4-CO-phospho-tyrosine-glutamine-glycine-leucine-serine-amide from Shc Src homology 2 domain (unknown origin) by f...


J Med Chem 52: 1612-8 (2009)


Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens (Human))
BDBM50276387
PNG
(4-((S)-2-acetamido-3-((S)-5-amino-1-((2-((S)-1-ami...)
Show SMILES CCCCN(CC(=O)N[C@@H](CC(C)C)C(N)=O)C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O |r|
Show InChI InChI=1S/C28H45N6O10P/c1-5-6-13-34(16-25(37)32-22(26(30)38)14-17(2)3)28(40)21(11-12-24(29)36)33-27(39)23(31-18(4)35)15-19-7-9-20(10-8-19)44-45(41,42)43/h7-10,17,21-23H,5-6,11-16H2,1-4H3,(H2,29,36)(H2,30,38)(H,31,35)(H,32,37)(H,33,39)(H2,41,42,43)/t21-,22-,23-/m0/s1
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n/an/a 8.90E+3n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Displacement of FITC-tagged NH-(CH2)4-CO-phospho-tyrosine-glutamine-glycine-leucine-serine-amide from Shc Src homology 2 domain (unknown origin) by f...


J Med Chem 52: 1612-8 (2009)


Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens (Human))
BDBM50276396
PNG
(4-((S)-2-acetamido-3-((S)-5-amino-1-((2-((S)-1-ami...)
Show SMILES CCCCCN(CC(=O)N[C@@H](CC(C)C)C(N)=O)C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O |r|
Show InChI InChI=1S/C29H47N6O10P/c1-5-6-7-14-35(17-26(38)33-23(27(31)39)15-18(2)3)29(41)22(12-13-25(30)37)34-28(40)24(32-19(4)36)16-20-8-10-21(11-9-20)45-46(42,43)44/h8-11,18,22-24H,5-7,12-17H2,1-4H3,(H2,30,37)(H2,31,39)(H,32,36)(H,33,38)(H,34,40)(H2,42,43,44)/t22-,23-,24-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Displacement of FITC-tagged NH-(CH2)4-CO-phospho-tyrosine-glutamine-glycine-leucine-serine-amide from Shc Src homology 2 domain (unknown origin) by f...


J Med Chem 52: 1612-8 (2009)


Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ
More data for this
Ligand-Target Pair
Tumor susceptibility gene 101 protein


(Homo sapiens (Human))
BDBM50362891
PNG
(CHEMBL1946260)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(C)=O)O\N=C\c1ccc(OC(=O)c2ccc3OCOc3c2)cc1)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1S/C59H75N11O22/c1-30(56(85)69-24-6-9-42(69)58(87)68-23-5-8-41(68)53(82)64-38(16-20-47(75)76)51(80)63-37(50(60)79)15-19-46(73)74)62-55(84)49(31(2)71)66-54(83)43-26-36(28-70(43)57(86)39(17-21-48(77)78)65-52(81)40-7-4-22-67(40)32(3)72)92-61-27-33-10-13-35(14-11-33)91-59(88)34-12-18-44-45(25-34)90-29-89-44/h10-14,18,25,27,30-31,36-43,49,71H,4-9,15-17,19-24,26,28-29H2,1-3H3,(H2,60,79)(H,62,84)(H,63,80)(H,64,82)(H,65,81)(H,66,83)(H,73,74)(H,75,76)(H,77,78)/b61-27+/t30-,31+,36+,37-,38-,39-,40-,41-,42-,43-,49-/m0/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



NCI-Frederick

Curated by ChEMBL


Assay Description
Inhibition of human Tsg101 binding to GST-tagged P6 protein by surface plasmon resonance method


ACS Med Chem Lett 2: 337-341 (2011)


Article DOI: 10.1021/ml1002579
BindingDB Entry DOI: 10.7270/Q22B8ZF4
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens (Human))
BDBM50276402
PNG
(4-((S)-2-acetamido-3-((S)-5-amino-1-((2-((S)-1-ami...)
Show SMILES CC(C)C[C@H](NC(=O)CN(CCCCC=C)C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(N)=O |r|
Show InChI InChI=1S/C30H47N6O10P/c1-5-6-7-8-15-36(18-27(39)34-24(28(32)40)16-19(2)3)30(42)23(13-14-26(31)38)35-29(41)25(33-20(4)37)17-21-9-11-22(12-10-21)46-47(43,44)45/h5,9-12,19,23-25H,1,6-8,13-18H2,2-4H3,(H2,31,38)(H2,32,40)(H,33,37)(H,34,39)(H,35,41)(H2,43,44,45)/t23-,24-,25-/m0/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Displacement of FITC-tagged NH-(CH2)4-CO-phospho-tyrosine-glutamine-glycine-leucine-serine-amide from Shc Src homology 2 domain (unknown origin) by f...


J Med Chem 52: 1612-8 (2009)


Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens (Human))
BDBM50276346
PNG
(4-((2S,5S,11S)-2-acetamido-5-(3-amino-3-oxopropyl)...)
Show SMILES CC(C)C[C@H](NC(=O)CN(CCC=C)C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)NCCC=C |r|
Show InChI InChI=1S/C32H49N6O10P/c1-6-8-16-34-30(42)26(18-21(3)4)36-29(41)20-38(17-9-7-2)32(44)25(14-15-28(33)40)37-31(43)27(35-22(5)39)19-23-10-12-24(13-11-23)48-49(45,46)47/h6-7,10-13,21,25-27H,1-2,8-9,14-20H2,3-5H3,(H2,33,40)(H,34,42)(H,35,39)(H,36,41)(H,37,43)(H2,45,46,47)/t25-,26-,27-/m0/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Displacement of FITC-tagged NH-(CH2)4-CO-phospho-tyrosine-glutamine-glycine-leucine-serine-amide from Shc Src homology 2 domain (unknown origin) by f...


J Med Chem 52: 1612-8 (2009)


Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens (Human))
BDBM50276397
PNG
(4-((S)-2-acetamido-3-((S)-5-amino-1-((2-((S)-1-ami...)
Show SMILES CC(C)C[C@H](NC(=O)CN(CCCC=C)C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(N)=O |r|
Show InChI InChI=1S/C29H45N6O10P/c1-5-6-7-14-35(17-26(38)33-23(27(31)39)15-18(2)3)29(41)22(12-13-25(30)37)34-28(40)24(32-19(4)36)16-20-8-10-21(11-9-20)45-46(42,43)44/h5,8-11,18,22-24H,1,6-7,12-17H2,2-4H3,(H2,30,37)(H2,31,39)(H,32,36)(H,33,38)(H,34,40)(H2,42,43,44)/t22-,23-,24-/m0/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Displacement of FITC-tagged NH-(CH2)4-CO-phospho-tyrosine-glutamine-glycine-leucine-serine-amide from Shc Src homology 2 domain (unknown origin) by f...


J Med Chem 52: 1612-8 (2009)


Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens (Human))
BDBM50276391
PNG
(4-((S)-2-acetamido-3-((S)-5-amino-1-((2-((S)-1-ami...)
Show SMILES CC(C)CCN(CC(=O)N[C@@H](CC(C)C)C(N)=O)C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O |r|
Show InChI InChI=1S/C29H47N6O10P/c1-17(2)12-13-35(16-26(38)33-23(27(31)39)14-18(3)4)29(41)22(10-11-25(30)37)34-28(40)24(32-19(5)36)15-20-6-8-21(9-7-20)45-46(42,43)44/h6-9,17-18,22-24H,10-16H2,1-5H3,(H2,30,37)(H2,31,39)(H,32,36)(H,33,38)(H,34,40)(H2,42,43,44)/t22-,23-,24-/m0/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Displacement of FITC-tagged NH-(CH2)4-CO-phospho-tyrosine-glutamine-glycine-leucine-serine-amide from Shc Src homology 2 domain (unknown origin) by f...


J Med Chem 52: 1612-8 (2009)


Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens (Human))
BDBM50276398
PNG
(4-((S)-2-acetamido-3-((S)-5-amino-1-((2-((S)-1-ami...)
Show SMILES CCC#CCN(CC(=O)N[C@@H](CC(C)C)C(N)=O)C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O |r|
Show InChI InChI=1S/C29H43N6O10P/c1-5-6-7-14-35(17-26(38)33-23(27(31)39)15-18(2)3)29(41)22(12-13-25(30)37)34-28(40)24(32-19(4)36)16-20-8-10-21(11-9-20)45-46(42,43)44/h8-11,18,22-24H,5,12-17H2,1-4H3,(H2,30,37)(H2,31,39)(H,32,36)(H,33,38)(H,34,40)(H2,42,43,44)/t22-,23-,24-/m0/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Displacement of FITC-tagged NH-(CH2)4-CO-phospho-tyrosine-glutamine-glycine-leucine-serine-amide from Shc Src homology 2 domain (unknown origin) by f...


J Med Chem 52: 1612-8 (2009)


Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens (Human))
BDBM50276389
PNG
(4-((S)-2-acetamido-3-((S)-5-amino-1-((2-((S)-1-ami...)
Show SMILES CC(C)C[C@H](NC(=O)CN(Cc1ccccc1)C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(N)=O |r|
Show InChI InChI=1S/C31H43N6O10P/c1-19(2)15-25(29(33)41)35-28(40)18-37(17-22-7-5-4-6-8-22)31(43)24(13-14-27(32)39)36-30(42)26(34-20(3)38)16-21-9-11-23(12-10-21)47-48(44,45)46/h4-12,19,24-26H,13-18H2,1-3H3,(H2,32,39)(H2,33,41)(H,34,38)(H,35,40)(H,36,42)(H2,44,45,46)/t24-,25-,26-/m0/s1
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n/an/a 1.89E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Displacement of FITC-tagged NH-(CH2)4-CO-phospho-tyrosine-glutamine-glycine-leucine-serine-amide from Shc Src homology 2 domain (unknown origin) by f...


J Med Chem 52: 1612-8 (2009)


Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens (Human))
BDBM50276384
PNG
(4-((S)-2-acetamido-3-((S)-5-amino-1-((2-((S)-1-ami...)
Show SMILES CCN(CC(=O)N[C@@H](CC(C)C)C(N)=O)C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O |r|
Show InChI InChI=1S/C26H41N6O10P/c1-5-32(14-23(35)30-20(24(28)36)12-15(2)3)26(38)19(10-11-22(27)34)31-25(37)21(29-16(4)33)13-17-6-8-18(9-7-17)42-43(39,40)41/h6-9,15,19-21H,5,10-14H2,1-4H3,(H2,27,34)(H2,28,36)(H,29,33)(H,30,35)(H,31,37)(H2,39,40,41)/t19-,20-,21-/m0/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Displacement of FITC-tagged NH-(CH2)4-CO-phospho-tyrosine-glutamine-glycine-leucine-serine-amide from Shc Src homology 2 domain (unknown origin) by f...


J Med Chem 52: 1612-8 (2009)


Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens (Human))
BDBM50276401
PNG
(4-((S)-2-acetamido-3-((S)-5-amino-1-((2-((S)-1-ami...)
Show SMILES CCCCCCN(CC(=O)N[C@@H](CC(C)C)C(N)=O)C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O |r|
Show InChI InChI=1S/C30H49N6O10P/c1-5-6-7-8-15-36(18-27(39)34-24(28(32)40)16-19(2)3)30(42)23(13-14-26(31)38)35-29(41)25(33-20(4)37)17-21-9-11-22(12-10-21)46-47(43,44)45/h9-12,19,23-25H,5-8,13-18H2,1-4H3,(H2,31,38)(H2,32,40)(H,33,37)(H,34,39)(H,35,41)(H2,43,44,45)/t23-,24-,25-/m0/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Displacement of FITC-tagged NH-(CH2)4-CO-phospho-tyrosine-glutamine-glycine-leucine-serine-amide from Shc Src homology 2 domain (unknown origin) by f...


J Med Chem 52: 1612-8 (2009)


Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens (Human))
BDBM50276393
PNG
(4-((S)-2-acetamido-3-((S)-5-amino-1-((2-((S)-1-ami...)
Show SMILES CC(C)C[C@H](NC(=O)CN(CCCC(F)(F)F)C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(N)=O |r|
Show InChI InChI=1S/C28H42F3N6O10P/c1-16(2)13-21(25(33)41)35-24(40)15-37(12-4-11-28(29,30)31)27(43)20(9-10-23(32)39)36-26(42)22(34-17(3)38)14-18-5-7-19(8-6-18)47-48(44,45)46/h5-8,16,20-22H,4,9-15H2,1-3H3,(H2,32,39)(H2,33,41)(H,34,38)(H,35,40)(H,36,42)(H2,44,45,46)/t20-,21-,22-/m0/s1
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n/an/a 2.30E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Displacement of FITC-tagged NH-(CH2)4-CO-phospho-tyrosine-glutamine-glycine-leucine-serine-amide from Shc Src homology 2 domain (unknown origin) by f...


J Med Chem 52: 1612-8 (2009)


Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens (Human))
BDBM50276385
PNG
(4-((S)-2-acetamido-3-((S)-5-amino-1-((2-((S)-1-ami...)
Show SMILES CCCN(CC(=O)N[C@@H](CC(C)C)C(N)=O)C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O |r|
Show InChI InChI=1S/C27H43N6O10P/c1-5-12-33(15-24(36)31-21(25(29)37)13-16(2)3)27(39)20(10-11-23(28)35)32-26(38)22(30-17(4)34)14-18-6-8-19(9-7-18)43-44(40,41)42/h6-9,16,20-22H,5,10-15H2,1-4H3,(H2,28,35)(H2,29,37)(H,30,34)(H,31,36)(H,32,38)(H2,40,41,42)/t20-,21-,22-/m0/s1
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n/an/a 2.57E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Displacement of FITC-tagged NH-(CH2)4-CO-phospho-tyrosine-glutamine-glycine-leucine-serine-amide from Shc Src homology 2 domain (unknown origin) by f...


J Med Chem 52: 1612-8 (2009)


Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens (Human))
BDBM50276386
PNG
(4-((S)-2-acetamido-3-((S)-1-(allyl(2-((S)-1-amino-...)
Show SMILES CC(C)C[C@H](NC(=O)CN(CC=C)C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(N)=O |r|
Show InChI InChI=1S/C27H41N6O10P/c1-5-12-33(15-24(36)31-21(25(29)37)13-16(2)3)27(39)20(10-11-23(28)35)32-26(38)22(30-17(4)34)14-18-6-8-19(9-7-18)43-44(40,41)42/h5-9,16,20-22H,1,10-15H2,2-4H3,(H2,28,35)(H2,29,37)(H,30,34)(H,31,36)(H,32,38)(H2,40,41,42)/t20-,21-,22-/m0/s1
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n/an/a 2.66E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Displacement of FITC-tagged NH-(CH2)4-CO-phospho-tyrosine-glutamine-glycine-leucine-serine-amide from Shc Src homology 2 domain (unknown origin) by f...


J Med Chem 52: 1612-8 (2009)


Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens (Human))
BDBM50276395
PNG
(4-((S)-2-acetamido-3-((S)-5-amino-1-((2-((S)-1-ami...)
Show SMILES CC(C)CCCN(CC(=O)N[C@@H](CC(C)C)C(N)=O)C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O |r|
Show InChI InChI=1S/C30H49N6O10P/c1-18(2)7-6-14-36(17-27(39)34-24(28(32)40)15-19(3)4)30(42)23(12-13-26(31)38)35-29(41)25(33-20(5)37)16-21-8-10-22(11-9-21)46-47(43,44)45/h8-11,18-19,23-25H,6-7,12-17H2,1-5H3,(H2,31,38)(H2,32,40)(H,33,37)(H,34,39)(H,35,41)(H2,43,44,45)/t23-,24-,25-/m0/s1
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n/an/a 2.90E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Displacement of FITC-tagged NH-(CH2)4-CO-phospho-tyrosine-glutamine-glycine-leucine-serine-amide from Shc Src homology 2 domain (unknown origin) by f...


J Med Chem 52: 1612-8 (2009)


Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens (Human))
BDBM50276399
PNG
(4-((S)-2-acetamido-3-((S)-5-amino-1-((2-((S)-1-ami...)
Show SMILES CCOCCN(CC(=O)N[C@@H](CC(C)C)C(N)=O)C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O |r|
Show InChI InChI=1S/C28H45N6O11P/c1-5-44-13-12-34(16-25(37)32-22(26(30)38)14-17(2)3)28(40)21(10-11-24(29)36)33-27(39)23(31-18(4)35)15-19-6-8-20(9-7-19)45-46(41,42)43/h6-9,17,21-23H,5,10-16H2,1-4H3,(H2,29,36)(H2,30,38)(H,31,35)(H,32,37)(H,33,39)(H2,41,42,43)/t21-,22-,23-/m0/s1
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n/an/a 3.30E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Displacement of FITC-tagged NH-(CH2)4-CO-phospho-tyrosine-glutamine-glycine-leucine-serine-amide from Shc Src homology 2 domain (unknown origin) by f...


J Med Chem 52: 1612-8 (2009)


Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens (Human))
BDBM50276400
PNG
(4-((S)-2-acetamido-3-((S)-5-amino-1-((2-((S)-1-ami...)
Show SMILES CCSCCN(CC(=O)N[C@@H](CC(C)C)C(N)=O)C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O |r|
Show InChI InChI=1S/C28H45N6O10PS/c1-5-46-13-12-34(16-25(37)32-22(26(30)38)14-17(2)3)28(40)21(10-11-24(29)36)33-27(39)23(31-18(4)35)15-19-6-8-20(9-7-19)44-45(41,42)43/h6-9,17,21-23H,5,10-16H2,1-4H3,(H2,29,36)(H2,30,38)(H,31,35)(H,32,37)(H,33,39)(H2,41,42,43)/t21-,22-,23-/m0/s1
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n/an/a 3.40E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Displacement of FITC-tagged NH-(CH2)4-CO-phospho-tyrosine-glutamine-glycine-leucine-serine-amide from Shc Src homology 2 domain (unknown origin) by f...


J Med Chem 52: 1612-8 (2009)


Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens (Human))
BDBM50276392
PNG
(4-((S)-2-acetamido-3-((S)-5-amino-1-((2-((S)-1-ami...)
Show SMILES CC(C)C[C@H](NC(=O)CN(CCCCF)C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(N)=O |r|
Show InChI InChI=1S/C28H44FN6O10P/c1-17(2)14-22(26(31)39)33-25(38)16-35(13-5-4-12-29)28(41)21(10-11-24(30)37)34-27(40)23(32-18(3)36)15-19-6-8-20(9-7-19)45-46(42,43)44/h6-9,17,21-23H,4-5,10-16H2,1-3H3,(H2,30,37)(H2,31,39)(H,32,36)(H,33,38)(H,34,40)(H2,42,43,44)/t21-,22-,23-/m0/s1
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n/an/a 4.00E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Displacement of FITC-tagged NH-(CH2)4-CO-phospho-tyrosine-glutamine-glycine-leucine-serine-amide from Shc Src homology 2 domain (unknown origin) by f...


J Med Chem 52: 1612-8 (2009)


Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens (Human))
BDBM50276336
PNG
(4-((2S,5S,11S,14S)-2-(N-allylacetamido)-5-(3-amino...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)N(CC=C)C(C)=O)C(=O)N[C@@H](CO)C(=O)NCC=C |r|
Show InChI InChI=1S/C33H50N7O12P/c1-6-14-35-31(46)26(19-41)39-32(47)25(16-20(3)4)37-29(44)18-36-30(45)24(12-13-28(34)43)38-33(48)27(40(15-7-2)21(5)42)17-22-8-10-23(11-9-22)52-53(49,50)51/h6-11,20,24-27,41H,1-2,12-19H2,3-5H3,(H2,34,43)(H,35,46)(H,36,45)(H,37,44)(H,38,48)(H,39,47)(H2,49,50,51)/t24-,25-,26-,27-/m0/s1
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n/an/a 4.10E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Displacement of FITC-tagged NH-(CH2)4-CO-phospho-tyrosine-glutamine-glycine-leucine-serine-amide from Shc Src homology 2 domain (unknown origin) by f...


J Med Chem 52: 1612-8 (2009)


Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens (Human))
BDBM50276403
PNG
(4-((S)-2-acetamido-3-((S)-5-amino-1-((2-((S)-1-ami...)
Show SMILES CC(C)C[C@H](NC(=O)CN(CCCCC#N)C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(N)=O |r|
Show InChI InChI=1S/C29H44N7O10P/c1-18(2)15-23(27(32)40)34-26(39)17-36(14-6-4-5-13-30)29(42)22(11-12-25(31)38)35-28(41)24(33-19(3)37)16-20-7-9-21(10-8-20)46-47(43,44)45/h7-10,18,22-24H,4-6,11-12,14-17H2,1-3H3,(H2,31,38)(H2,32,40)(H,33,37)(H,34,39)(H,35,41)(H2,43,44,45)/t22-,23-,24-/m0/s1
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n/an/a 4.40E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Displacement of FITC-tagged NH-(CH2)4-CO-phospho-tyrosine-glutamine-glycine-leucine-serine-amide from Shc Src homology 2 domain (unknown origin) by f...


J Med Chem 52: 1612-8 (2009)


Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens (Human))
BDBM50276342
PNG
(4-((2S,5S,11S)-2-acetamido-7-allyl-5-(3-amino-3-ox...)
Show SMILES CC(C)C[C@H](NC(=O)CN(CC=C)C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)NCC=C |r|
Show InChI InChI=1S/C30H45N6O10P/c1-6-14-32-28(40)24(16-19(3)4)34-27(39)18-36(15-7-2)30(42)23(12-13-26(31)38)35-29(41)25(33-20(5)37)17-21-8-10-22(11-9-21)46-47(43,44)45/h6-11,19,23-25H,1-2,12-18H2,3-5H3,(H2,31,38)(H,32,40)(H,33,37)(H,34,39)(H,35,41)(H2,43,44,45)/t23-,24-,25-/m0/s1
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n/an/a 4.70E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Displacement of FITC-tagged NH-(CH2)4-CO-phospho-tyrosine-glutamine-glycine-leucine-serine-amide from Shc Src homology 2 domain (unknown origin) by f...


J Med Chem 52: 1612-8 (2009)


Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens (Human))
BDBM50276335
PNG
(4-((2S,5S,11S,14S)-2-acetamido-7-allyl-5-(3-amino-...)
Show SMILES CC(C)C[C@H](NC(=O)CN(CC=C)C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N[C@@H](CO)C(=O)NCC=C |r|
Show InChI InChI=1S/C33H50N7O12P/c1-6-14-35-30(45)27(19-41)39-31(46)25(16-20(3)4)37-29(44)18-40(15-7-2)33(48)24(12-13-28(34)43)38-32(47)26(36-21(5)42)17-22-8-10-23(11-9-22)52-53(49,50)51/h6-11,20,24-27,41H,1-2,12-19H2,3-5H3,(H2,34,43)(H,35,45)(H,36,42)(H,37,44)(H,38,47)(H,39,46)(H2,49,50,51)/t24-,25-,26-,27-/m0/s1
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n/an/a 4.80E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Displacement of FITC-tagged NH-(CH2)4-CO-phospho-tyrosine-glutamine-glycine-leucine-serine-amide from Shc Src homology 2 domain (unknown origin) by f...


J Med Chem 52: 1612-8 (2009)


Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens (Human))
BDBM50276394
PNG
(4-((S)-2-acetamido-3-((S)-5-amino-1-((2-((S)-1-ami...)
Show SMILES COCCN(CC(=O)N[C@@H](CC(C)C)C(N)=O)C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O |r|
Show InChI InChI=1S/C27H43N6O11P/c1-16(2)13-21(25(29)37)31-24(36)15-33(11-12-43-4)27(39)20(9-10-23(28)35)32-26(38)22(30-17(3)34)14-18-5-7-19(8-6-18)44-45(40,41)42/h5-8,16,20-22H,9-15H2,1-4H3,(H2,28,35)(H2,29,37)(H,30,34)(H,31,36)(H,32,38)(H2,40,41,42)/t20-,21-,22-/m0/s1
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n/an/a 5.60E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Displacement of FITC-tagged NH-(CH2)4-CO-phospho-tyrosine-glutamine-glycine-leucine-serine-amide from Shc Src homology 2 domain (unknown origin) by f...


J Med Chem 52: 1612-8 (2009)


Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ
More data for this
Ligand-Target Pair
Tumor susceptibility gene 101 protein


(Homo sapiens (Human))
BDBM50362889
PNG
(CHEMBL1946129)
Show SMILES COc1ccc(\C=N\O[C@@H]2C[C@H](N(C2)C(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(C)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(N)=O)cc1OC |r|
Show InChI InChI=1S/C53H75N11O20/c1-27(51(79)63-22-8-11-37(63)53(81)62-21-7-10-36(62)48(76)58-33(14-18-42(69)70)46(74)57-32(45(54)73)13-17-41(67)68)56-50(78)44(28(2)65)60-49(77)38-24-31(84-55-25-30-12-16-39(82-4)40(23-30)83-5)26-64(38)52(80)34(15-19-43(71)72)59-47(75)35-9-6-20-61(35)29(3)66/h12,16,23,25,27-28,31-38,44,65H,6-11,13-15,17-22,24,26H2,1-5H3,(H2,54,73)(H,56,78)(H,57,74)(H,58,76)(H,59,75)(H,60,77)(H,67,68)(H,69,70)(H,71,72)/b55-25+/t27-,28+,31+,32-,33-,34-,35-,36-,37-,38-,44-/m0/s1
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n/an/a 7.20E+4n/an/an/an/an/an/a



NCI-Frederick

Curated by ChEMBL


Assay Description
Inhibition of human Tsg101 binding to GST-tagged P6 protein by surface plasmon resonance method


ACS Med Chem Lett 2: 337-341 (2011)


Article DOI: 10.1021/ml1002579
BindingDB Entry DOI: 10.7270/Q22B8ZF4
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens (Human))
BDBM50276341
PNG
(4-((2S,5S,11S)-2-acetamido-10-allyl-5-(3-amino-3-o...)
Show SMILES CC(C)C[C@H](N(CC=C)C(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)NCC=C |r|
Show InChI InChI=1S/C30H45N6O10P/c1-6-14-32-30(42)25(16-19(3)4)36(15-7-2)27(39)18-33-28(40)23(12-13-26(31)38)35-29(41)24(34-20(5)37)17-21-8-10-22(11-9-21)46-47(43,44)45/h6-11,19,23-25H,1-2,12-18H2,3-5H3,(H2,31,38)(H,32,42)(H,33,40)(H,34,37)(H,35,41)(H2,43,44,45)/t23-,24-,25-/m0/s1
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n/an/a 8.10E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Displacement of FITC-tagged NH-(CH2)4-CO-phospho-tyrosine-glutamine-glycine-leucine-serine-amide from Shc Src homology 2 domain (unknown origin) by f...


J Med Chem 52: 1612-8 (2009)


Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens (Human))
BDBM50276390
PNG
(4-((S)-2-acetamido-3-((S)-5-amino-1-((2-((S)-1-ami...)
Show SMILES CC#CCN(CC(=O)N[C@@H](CC(C)C)C(N)=O)C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O |r|
Show InChI InChI=1S/C28H41N6O10P/c1-5-6-13-34(16-25(37)32-22(26(30)38)14-17(2)3)28(40)21(11-12-24(29)36)33-27(39)23(31-18(4)35)15-19-7-9-20(10-8-19)44-45(41,42)43/h7-10,17,21-23H,11-16H2,1-4H3,(H2,29,36)(H2,30,38)(H,31,35)(H,32,37)(H,33,39)(H2,41,42,43)/t21-,22-,23-/m0/s1
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n/an/a 8.30E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Displacement of FITC-tagged NH-(CH2)4-CO-phospho-tyrosine-glutamine-glycine-leucine-serine-amide from Shc Src homology 2 domain (unknown origin) by f...


J Med Chem 52: 1612-8 (2009)


Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens (Human))
BDBM50276344
PNG
(4-((2S,5S,11S)-2-acetamido-5-(3-amino-3-oxopropyl)...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)NCCC=C |r|
Show InChI InChI=1S/C28H43N6O10P/c1-5-6-13-30-27(39)22(14-17(2)3)33-25(37)16-31-26(38)21(11-12-24(29)36)34-28(40)23(32-18(4)35)15-19-7-9-20(10-8-19)44-45(41,42)43/h5,7-10,17,21-23H,1,6,11-16H2,2-4H3,(H2,29,36)(H,30,39)(H,31,38)(H,32,35)(H,33,37)(H,34,40)(H2,41,42,43)/t21-,22-,23-/m0/s1
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n/an/a 8.40E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Displacement of FITC-tagged NH-(CH2)4-CO-phospho-tyrosine-glutamine-glycine-leucine-serine-amide from Shc Src homology 2 domain (unknown origin) by f...


J Med Chem 52: 1612-8 (2009)


Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens (Human))
BDBM50276345
PNG
(4-((2S,5S,11S)-2-acetamido-5-(3-amino-3-oxopropyl)...)
Show SMILES CC(C)C[C@H](N(CCC=C)C(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)NCCC=C |r|
Show InChI InChI=1S/C32H49N6O10P/c1-6-8-16-34-32(44)27(18-21(3)4)38(17-9-7-2)29(41)20-35-30(42)25(14-15-28(33)40)37-31(43)26(36-22(5)39)19-23-10-12-24(13-11-23)48-49(45,46)47/h6-7,10-13,21,25-27H,1-2,8-9,14-20H2,3-5H3,(H2,33,40)(H,34,44)(H,35,42)(H,36,39)(H,37,43)(H2,45,46,47)/t25-,26-,27-/m0/s1
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n/an/a 8.40E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Displacement of FITC-tagged NH-(CH2)4-CO-phospho-tyrosine-glutamine-glycine-leucine-serine-amide from Shc Src homology 2 domain (unknown origin) by f...


J Med Chem 52: 1612-8 (2009)


Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens (Human))
BDBM50276338
PNG
(4-((2S,5S,11S,14S)-2-acetamido-5-(3-amino-3-oxopro...)
Show SMILES CC(C)C[C@H](N(CCC=C)C(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N[C@@H](CO)C(=O)NCCC=C |r|
Show InChI InChI=1S/C35H54N7O12P/c1-6-8-16-37-33(48)28(21-43)41-35(50)29(18-22(3)4)42(17-9-7-2)31(46)20-38-32(47)26(14-15-30(36)45)40-34(49)27(39-23(5)44)19-24-10-12-25(13-11-24)54-55(51,52)53/h6-7,10-13,22,26-29,43H,1-2,8-9,14-21H2,3-5H3,(H2,36,45)(H,37,48)(H,38,47)(H,39,44)(H,40,49)(H,41,50)(H2,51,52,53)/t26-,27-,28-,29-/m0/s1
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n/an/a 8.90E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Displacement of FITC-tagged NH-(CH2)4-CO-phospho-tyrosine-glutamine-glycine-leucine-serine-amide from Shc Src homology 2 domain (unknown origin) by f...


J Med Chem 52: 1612-8 (2009)


Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens (Human))
BDBM50276340
PNG
(4-((2S,5S,11S)-2-acetamido-5-(3-amino-3-oxopropyl)...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)NCC=C |r|
Show InChI InChI=1S/C27H41N6O10P/c1-5-12-29-26(38)21(13-16(2)3)32-24(36)15-30-25(37)20(10-11-23(28)35)33-27(39)22(31-17(4)34)14-18-6-8-19(9-7-18)43-44(40,41)42/h5-9,16,20-22H,1,10-15H2,2-4H3,(H2,28,35)(H,29,38)(H,30,37)(H,31,34)(H,32,36)(H,33,39)(H2,40,41,42)/t20-,21-,22-/m0/s1
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n/an/a 9.10E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Displacement of FITC-tagged NH-(CH2)4-CO-phospho-tyrosine-glutamine-glycine-leucine-serine-amide from Shc Src homology 2 domain (unknown origin) by f...


J Med Chem 52: 1612-8 (2009)


Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens (Human))
BDBM50276337
PNG
(4-((2S,5S,11S,14S)-2-acetamido-5-(3-amino-3-oxopro...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N[C@@H](CO)C(=O)NCCC=C |r|
Show InChI InChI=1S/C31H48N7O12P/c1-5-6-13-33-29(44)25(17-39)38-30(45)23(14-18(2)3)36-27(42)16-34-28(43)22(11-12-26(32)41)37-31(46)24(35-19(4)40)15-20-7-9-21(10-8-20)50-51(47,48)49/h5,7-10,18,22-25,39H,1,6,11-17H2,2-4H3,(H2,32,41)(H,33,44)(H,34,43)(H,35,40)(H,36,42)(H,37,46)(H,38,45)(H2,47,48,49)/t22-,23-,24-,25-/m0/s1
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n/an/a 1.65E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Displacement of FITC-tagged NH-(CH2)4-CO-phospho-tyrosine-glutamine-glycine-leucine-serine-amide from Shc Src homology 2 domain (unknown origin) by f...


J Med Chem 52: 1612-8 (2009)


Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens (Human))
BDBM50276333
PNG
(4-((2S,5S,11S,14S)-2-acetamido-5-(3-amino-3-oxopro...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N[C@@H](CO)C(=O)NCC=C |r|
Show InChI InChI=1S/C30H46N7O12P/c1-5-12-32-28(43)24(16-38)37-29(44)22(13-17(2)3)35-26(41)15-33-27(42)21(10-11-25(31)40)36-30(45)23(34-18(4)39)14-19-6-8-20(9-7-19)49-50(46,47)48/h5-9,17,21-24,38H,1,10-16H2,2-4H3,(H2,31,40)(H,32,43)(H,33,42)(H,34,39)(H,35,41)(H,36,45)(H,37,44)(H2,46,47,48)/t21-,22-,23-,24-/m0/s1
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n/an/a 1.89E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Displacement of FITC-tagged NH-(CH2)4-CO-phospho-tyrosine-glutamine-glycine-leucine-serine-amide from Shc Src homology 2 domain (unknown origin) by f...


J Med Chem 52: 1612-8 (2009)


Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens (Human))
BDBM50276383
PNG
(4-((S)-2-acetamido-3-((S)-5-amino-1-(2-((S)-1-amin...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(N)=O |r|
Show InChI InChI=1S/C24H37N6O10P/c1-13(2)10-18(22(26)34)29-21(33)12-27-23(35)17(8-9-20(25)32)30-24(36)19(28-14(3)31)11-15-4-6-16(7-5-15)40-41(37,38)39/h4-7,13,17-19H,8-12H2,1-3H3,(H2,25,32)(H2,26,34)(H,27,35)(H,28,31)(H,29,33)(H,30,36)(H2,37,38,39)/t17-,18-,19-/m0/s1
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n/an/a 2.48E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Displacement of FITC-tagged NH-(CH2)4-CO-phospho-tyrosine-glutamine-glycine-leucine-serine-amide from Shc Src homology 2 domain (unknown origin) by f...


J Med Chem 52: 1612-8 (2009)


Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens (Human))
BDBM50276334
PNG
(4-((2S,5S,11S,14S)-2-acetamido-10-allyl-5-(3-amino...)
Show SMILES CC(C)C[C@H](N(CC=C)C(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N[C@@H](CO)C(=O)NCC=C |r|
Show InChI InChI=1S/C33H50N7O12P/c1-6-14-35-31(46)26(19-41)39-33(48)27(16-20(3)4)40(15-7-2)29(44)18-36-30(45)24(12-13-28(34)43)38-32(47)25(37-21(5)42)17-22-8-10-23(11-9-22)52-53(49,50)51/h6-11,20,24-27,41H,1-2,12-19H2,3-5H3,(H2,34,43)(H,35,46)(H,36,45)(H,37,42)(H,38,47)(H,39,48)(H2,49,50,51)/t24-,25-,26-,27-/m0/s1
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n/an/a 3.53E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Displacement of FITC-tagged NH-(CH2)4-CO-phospho-tyrosine-glutamine-glycine-leucine-serine-amide from Shc Src homology 2 domain (unknown origin) by f...


J Med Chem 52: 1612-8 (2009)


Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens (Human))
BDBM50276343
PNG
(4-((2S,5S,11S)-2-(N-allylacetamido)-5-(3-amino-3-o...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)N(CC=C)C(C)=O)C(=O)NCC=C |r|
Show InChI InChI=1S/C30H45N6O10P/c1-6-14-32-29(41)24(16-19(3)4)34-27(39)18-33-28(40)23(12-13-26(31)38)35-30(42)25(36(15-7-2)20(5)37)17-21-8-10-22(11-9-21)46-47(43,44)45/h6-11,19,23-25H,1-2,12-18H2,3-5H3,(H2,31,38)(H,32,41)(H,33,40)(H,34,39)(H,35,42)(H2,43,44,45)/t23-,24-,25-/m0/s1
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n/an/a 4.50E+5n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Displacement of FITC-tagged NH-(CH2)4-CO-phospho-tyrosine-glutamine-glycine-leucine-serine-amide from Shc Src homology 2 domain (unknown origin) by f...


J Med Chem 52: 1612-8 (2009)


Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens (Human))
BDBM50276327
PNG
(4-((2S,5S,11S,14S)-1-amino-11-(3-amino-3-oxopropyl...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)c1cccc(CNC(=O)c2cc(ccc2-c2c3ccc(O)cc3oc3cc(=O)ccc23)N=C=S)c1)C(=O)N[C@@H](CO)C(N)=O |r,wU:12.17,4.4,wD:21.34,75.80,(16.43,-1.43,;17.76,-2.19,;19.1,-1.43,;17.77,-3.74,;19.1,-4.5,;19.11,-6.04,;17.78,-6.82,;16.44,-6.06,;17.79,-8.35,;16.45,-9.13,;16.47,-10.67,;17.8,-11.43,;15.13,-11.44,;13.8,-10.67,;13.79,-9.13,;12.45,-8.37,;11.12,-9.14,;12.45,-6.83,;15.14,-12.98,;13.8,-13.75,;12.46,-12.99,;13.81,-15.29,;15.15,-16.06,;16.48,-15.28,;17.81,-16.06,;19.15,-15.27,;19.14,-13.74,;20.47,-12.96,;21.81,-13.72,;23.14,-14.49,;22.58,-12.38,;21.04,-15.06,;17.79,-12.97,;16.46,-13.75,;12.48,-16.07,;11.14,-15.3,;11.14,-13.76,;9.8,-16.08,;9.83,-17.63,;8.52,-18.42,;7.18,-17.68,;7.13,-16.14,;5.79,-15.37,;5.8,-13.83,;4.47,-13.06,;4.47,-11.51,;3.13,-13.82,;3.12,-15.35,;1.77,-16.12,;.45,-15.34,;.45,-13.8,;1.79,-13.04,;1.8,-11.03,;.34,-10.49,;-.84,-11.48,;-2.28,-10.94,;-2.54,-9.42,;-3.99,-8.88,;-1.35,-8.44,;.08,-8.97,;1.27,-7.98,;2.72,-8.53,;3.9,-7.54,;5.35,-8.07,;6.53,-7.08,;5.61,-9.6,;4.43,-10.58,;2.98,-10.05,;1.77,-17.66,;1.76,-19.2,;1.76,-20.74,;8.45,-15.34,;20.44,-3.72,;21.78,-4.5,;20.43,-2.18,;21.76,-1.42,;23.1,-2.17,;24.44,-1.4,;21.75,.11,;23.09,.9,;20.41,.87,)|
Show InChI InChI=1S/C54H56N9O16PS/c1-28(2)18-41(53(73)63-43(26-64)49(56)69)60-47(68)25-58-52(72)40(16-17-46(55)67)61-54(74)42(20-29-6-11-35(12-7-29)79-80(75,76)77)62-50(70)31-5-3-4-30(19-31)24-57-51(71)39-21-32(59-27-81)8-13-36(39)48-37-14-9-33(65)22-44(37)78-45-23-34(66)10-15-38(45)48/h3-15,19,21-23,28,40-43,64-65H,16-18,20,24-26H2,1-2H3,(H2,55,67)(H2,56,69)(H,57,71)(H,58,72)(H,60,68)(H,61,74)(H,62,70)(H,63,73)(H2,75,76,77)/t40-,41-,42-,43-/m0/s1
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n/an/an/a 5.00E+3n/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding affinity to Shc Src homology 2 domain (unknown origin) by fluorescence anisotropy


J Med Chem 52: 1612-8 (2009)


Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens (Human))
BDBM50276326
PNG
(4-((2S,5S,11S,14S)-1-amino-11-(3-amino-3-oxopropyl...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)c1ccc(NC(=O)c2cc(ccc2-c2c3ccc(O)cc3oc3cc(=O)ccc23)N=C=S)cc1)C(=O)N[C@@H](CO)C(N)=O |r,wU:4.4,12.17,wD:21.34,74.79,(16.86,.39,;18.2,-.37,;19.53,.39,;18.21,-1.92,;19.54,-2.69,;19.55,-4.23,;18.22,-5.01,;16.88,-4.24,;18.23,-6.54,;16.89,-7.31,;16.91,-8.85,;18.24,-9.61,;15.57,-9.62,;14.23,-8.86,;14.23,-7.31,;12.89,-6.55,;11.56,-7.32,;12.88,-5.01,;15.57,-11.16,;14.24,-11.94,;12.9,-11.17,;14.25,-13.48,;15.59,-14.24,;16.91,-13.47,;18.25,-14.25,;19.59,-13.46,;19.58,-11.92,;20.91,-11.14,;22.25,-11.91,;23.58,-12.67,;23.02,-10.56,;21.48,-13.24,;18.23,-11.16,;16.9,-11.94,;12.92,-14.25,;11.58,-13.49,;11.58,-11.95,;10.24,-14.27,;10.27,-15.81,;8.96,-16.6,;7.61,-15.86,;6.28,-16.64,;4.94,-15.87,;4.94,-14.33,;3.61,-16.64,;3.6,-18.17,;2.26,-18.94,;.93,-18.17,;.93,-16.63,;2.26,-15.87,;2.26,-13.86,;.8,-13.32,;-.37,-14.32,;-1.82,-13.79,;-2.09,-12.27,;-3.54,-11.74,;-.9,-11.29,;.53,-11.81,;1.72,-10.81,;3.17,-11.35,;4.34,-10.36,;5.79,-10.87,;6.97,-9.89,;6.06,-12.41,;4.89,-13.39,;3.43,-12.87,;2.26,-20.49,;2.27,-22.03,;2.27,-23.57,;7.56,-14.32,;8.89,-13.53,;20.88,-1.91,;22.21,-2.68,;20.87,-.36,;22.2,.4,;23.54,-.36,;24.88,.42,;22.19,1.93,;23.53,2.71,;20.85,2.69,)|
Show InChI InChI=1S/C53H54N9O16PS/c1-27(2)19-40(52(72)62-42(25-63)48(55)68)59-46(67)24-56-51(71)39(17-18-45(54)66)60-53(73)41(20-28-3-12-34(13-4-28)78-79(74,75)76)61-49(69)29-5-7-30(8-6-29)58-50(70)38-21-31(57-26-80)9-14-35(38)47-36-15-10-32(64)22-43(36)77-44-23-33(65)11-16-37(44)47/h3-16,21-23,27,39-42,63-64H,17-20,24-25H2,1-2H3,(H2,54,66)(H2,55,68)(H,56,71)(H,58,70)(H,59,67)(H,60,73)(H,61,69)(H,62,72)(H2,74,75,76)/t39-,40-,41-,42-/m0/s1
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n/an/an/a 2.39E+4n/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding affinity to Shc Src homology 2 domain (unknown origin) by fluorescence anisotropy


J Med Chem 52: 1612-8 (2009)


Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens (Human))
BDBM50276325
PNG
(CHEMBL501747 | trans-4-((2S,5S,11S,14S)-1-amino-11...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)[C@H]1CC[C@H](CNC(=O)c2cc(ccc2-c2c3ccc(O)cc3oc3cc(=O)ccc23)N=C=S)CC1)C(=O)N[C@@H](CO)C(N)=O |r,wU:40.41,4.4,12.17,wD:21.34,75.80,37.37,(19.49,1.09,;20.82,.33,;22.16,1.09,;20.83,-1.22,;22.16,-1.99,;22.17,-3.53,;20.84,-4.3,;19.51,-3.54,;20.85,-5.83,;19.52,-6.61,;19.53,-8.15,;20.87,-8.91,;18.2,-8.92,;16.86,-8.15,;16.85,-6.61,;15.52,-5.85,;14.19,-6.62,;15.51,-4.31,;18.2,-10.46,;16.87,-11.23,;15.53,-10.47,;16.87,-12.77,;18.21,-13.54,;19.54,-12.76,;20.87,-13.54,;22.21,-12.75,;22.2,-11.21,;23.53,-10.44,;24.87,-11.2,;26.2,-11.97,;25.64,-9.86,;24.11,-12.53,;20.85,-10.45,;19.53,-11.23,;15.54,-13.54,;14.21,-12.78,;14.2,-11.24,;12.86,-13.56,;11.51,-12.82,;10.19,-13.62,;10.24,-15.16,;8.93,-15.96,;8.96,-17.5,;7.65,-18.3,;6.29,-17.56,;7.68,-19.84,;9.02,-20.58,;9.05,-22.13,;7.73,-22.93,;6.39,-22.19,;6.36,-20.65,;4.46,-20.01,;3.48,-21.22,;4.04,-22.65,;3.08,-23.85,;1.56,-23.61,;.59,-24.82,;1,-22.18,;1.96,-20.99,;1.39,-19.54,;2.37,-18.34,;1.81,-16.91,;2.76,-15.71,;2.2,-14.28,;4.3,-15.94,;4.85,-17.37,;3.89,-18.58,;10.4,-22.87,;11.76,-23.61,;13.11,-24.35,;11.58,-15.9,;12.89,-15.1,;23.5,-1.2,;24.84,-1.98,;23.49,.34,;24.82,1.1,;26.16,.34,;27.5,1.12,;24.81,2.63,;26.15,3.41,;23.47,3.39,)|
Show InChI InChI=1S/C54H62N9O16PS/c1-28(2)19-41(53(73)63-43(26-64)49(56)69)60-47(68)25-58-52(72)40(17-18-46(55)67)61-54(74)42(20-29-5-12-35(13-6-29)79-80(75,76)77)62-50(70)31-7-3-30(4-8-31)24-57-51(71)39-21-32(59-27-81)9-14-36(39)48-37-15-10-33(65)22-44(37)78-45-23-34(66)11-16-38(45)48/h5-6,9-16,21-23,28,30-31,40-43,64-65H,3-4,7-8,17-20,24-26H2,1-2H3,(H2,55,67)(H2,56,69)(H,57,71)(H,58,72)(H,60,68)(H,61,74)(H,62,70)(H,63,73)(H2,75,76,77)/t30-,31-,40-,41-,42-,43-/m0/s1
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n/an/an/a 1.80E+4n/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding affinity to Shc Src homology 2 domain (unknown origin) by fluorescence anisotropy


J Med Chem 52: 1612-8 (2009)


Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens (Human))
BDBM50276324
PNG
(4-((2S,5S,11S,14S)-1-amino-11-(3-amino-3-oxopropyl...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)C1CN(CCN1)C(=O)c1cc(ccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)N=C=S)C(=O)N[C@@H](CO)C(N)=O |r,wU:4.4,12.17,wD:21.34,73.78,(20.3,.8,;21.63,.04,;22.97,.8,;21.64,-1.51,;22.97,-2.27,;22.98,-3.81,;21.65,-4.59,;20.32,-3.83,;21.66,-6.12,;20.33,-6.89,;20.34,-8.43,;21.68,-9.2,;19.01,-9.21,;17.67,-8.44,;17.66,-6.9,;16.33,-6.14,;15,-6.91,;16.32,-4.6,;19.01,-10.75,;17.68,-11.52,;16.34,-10.76,;17.69,-13.06,;19.03,-13.83,;20.35,-13.05,;21.68,-13.83,;23.02,-13.04,;23.01,-11.5,;24.34,-10.73,;25.68,-11.49,;27.02,-12.26,;26.45,-10.15,;24.92,-12.82,;21.66,-10.74,;20.34,-11.52,;16.35,-13.83,;15.02,-13.07,;15.02,-11.53,;13.68,-13.85,;12.34,-13.08,;11.02,-13.87,;11.03,-15.41,;12.36,-16.17,;13.69,-15.39,;9.68,-13.12,;9.66,-11.57,;8.35,-13.9,;8.36,-15.42,;7.02,-16.21,;5.68,-15.44,;5.67,-13.91,;7,-13.13,;6.63,-11.16,;5.1,-10.9,;4.13,-12.08,;2.61,-11.83,;2.07,-10.38,;.55,-10.12,;3.06,-9.2,;4.57,-9.46,;5.55,-8.25,;7.08,-8.53,;8.05,-7.34,;9.57,-7.58,;10.54,-6.4,;10.11,-9.04,;9.14,-10.22,;7.61,-9.97,;7.03,-17.75,;7.05,-19.29,;7.06,-20.83,;24.31,-1.49,;25.65,-2.27,;24.3,.05,;25.63,.82,;26.97,.06,;28.32,.83,;25.63,2.34,;26.96,3.13,;24.29,3.1,)|
Show InChI InChI=1S/C51H57N10O16PS/c1-26(2)17-37(48(69)60-40(24-62)46(53)67)57-44(66)22-55-47(68)36(13-14-43(52)65)58-49(70)38(18-27-3-8-31(9-4-27)77-78(73,74)75)59-50(71)39-23-61(16-15-54-39)51(72)35-19-28(56-25-79)5-10-32(35)45-33-11-6-29(63)20-41(33)76-42-21-30(64)7-12-34(42)45/h3-12,19-21,26,36-40,54,62-63H,13-18,22-24H2,1-2H3,(H2,52,65)(H2,53,67)(H,55,68)(H,57,66)(H,58,70)(H,59,71)(H,60,69)(H2,73,74,75)/t36-,37-,38-,39?,40-/m0/s1
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n/an/an/a 9.50E+3n/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding affinity to Shc Src homology 2 domain (unknown origin) by fluorescence anisotropy


J Med Chem 52: 1612-8 (2009)


Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens (Human))
BDBM50276323
PNG
(4-((2S,5S,11S,14S)-1-amino-11-(3-amino-3-oxopropyl...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)C1CN(C1)C(=O)c1cc(ccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)N=C=S)C(=O)N[C@@H](CO)C(N)=O |r,wU:12.17,4.4,wD:21.34,71.76,(13.14,1.43,;14.47,.67,;15.81,1.44,;14.48,-.88,;15.82,-1.64,;15.82,-3.18,;14.49,-3.96,;13.16,-3.2,;14.5,-5.49,;13.17,-6.26,;13.18,-7.8,;14.52,-8.57,;11.85,-8.58,;10.51,-7.81,;10.5,-6.27,;9.17,-5.51,;7.84,-6.28,;9.16,-3.97,;11.85,-10.12,;10.52,-10.89,;9.18,-10.12,;10.53,-12.43,;11.87,-13.2,;13.19,-12.42,;14.52,-13.2,;15.86,-12.41,;15.85,-10.87,;17.18,-10.09,;18.52,-10.86,;19.86,-11.62,;19.29,-9.51,;17.76,-12.19,;14.51,-10.11,;13.18,-10.89,;9.19,-13.2,;7.86,-12.44,;7.86,-10.9,;6.53,-13.21,;6.13,-14.7,;4.65,-14.3,;5.04,-12.82,;3.31,-15.08,;1.98,-14.31,;3.31,-16.62,;4.63,-17.39,;4.63,-18.94,;3.29,-19.7,;1.96,-18.93,;1.97,-17.39,;.09,-16.71,;-.92,-17.9,;-.39,-19.34,;-1.38,-20.52,;-2.9,-20.25,;-3.89,-21.43,;-3.42,-18.8,;-2.43,-17.63,;-2.97,-16.17,;-1.96,-15,;-2.49,-13.55,;-1.51,-12.37,;-2.04,-10.93,;.02,-12.64,;.54,-14.08,;-.45,-15.27,;5.97,-19.71,;7.3,-20.48,;8.64,-21.25,;17.15,-.86,;18.49,-1.64,;17.14,.68,;18.48,1.45,;19.81,.69,;21.16,1.47,;18.47,2.97,;19.81,3.76,;17.13,3.73,)|
Show InChI InChI=1S/C50H54N9O16PS/c1-25(2)15-37(48(68)58-39(23-60)45(52)65)55-43(64)20-53-47(67)36(13-14-42(51)63)56-49(69)38(16-26-3-8-31(9-4-26)75-76(71,72)73)57-46(66)27-21-59(22-27)50(70)35-17-28(54-24-77)5-10-32(35)44-33-11-6-29(61)18-40(33)74-41-19-30(62)7-12-34(41)44/h3-12,17-19,25,27,36-39,60-61H,13-16,20-23H2,1-2H3,(H2,51,63)(H2,52,65)(H,53,67)(H,55,64)(H,56,69)(H,57,66)(H,58,68)(H2,71,72,73)/t36-,37-,38-,39-/m0/s1
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n/an/an/a 5.30E+3n/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding affinity to Shc Src homology 2 domain (unknown origin) by fluorescence anisotropy


J Med Chem 52: 1612-8 (2009)


Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens (Human))
BDBM50276322
PNG
(4-((2S,5S,11S,14S)-1-amino-11-(3-amino-3-oxopropyl...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)[C@H](O)CCNC(=O)c1cc(ccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)N=C=S)C(=O)N[C@@H](CO)C(N)=O |r,wU:4.4,12.17,wD:21.34,72.76,37.38,(17.8,-.47,;19.14,-1.23,;20.47,-.47,;19.14,-2.78,;20.48,-3.54,;20.49,-5.08,;19.16,-5.86,;17.82,-5.1,;19.16,-7.39,;17.83,-8.17,;17.84,-9.71,;19.18,-10.47,;16.51,-10.48,;15.17,-9.71,;15.16,-8.17,;13.83,-7.41,;12.5,-8.18,;13.82,-5.87,;16.51,-12.02,;15.18,-12.79,;13.84,-12.03,;15.19,-14.33,;16.53,-15.1,;17.85,-14.32,;19.19,-15.1,;20.53,-14.31,;20.52,-12.77,;21.84,-12,;23.18,-12.76,;24.52,-13.53,;23.95,-11.42,;22.42,-14.1,;19.17,-12.01,;17.84,-12.79,;13.86,-15.1,;12.52,-14.34,;12.52,-12.8,;11.19,-15.12,;11.19,-16.66,;9.85,-14.35,;8.52,-15.12,;7.18,-14.35,;5.85,-15.12,;4.51,-14.36,;5.85,-16.67,;7.17,-17.44,;7.17,-18.98,;5.83,-19.75,;4.5,-18.98,;4.51,-17.44,;2.62,-16.76,;1.62,-17.95,;2.15,-19.39,;1.16,-20.57,;-.36,-20.3,;-1.36,-21.48,;-.88,-18.85,;.1,-17.68,;-.43,-16.22,;.58,-15.04,;.04,-13.6,;1.02,-12.42,;.5,-10.97,;2.56,-12.69,;3.08,-14.13,;2.09,-15.32,;8.5,-19.76,;9.84,-20.52,;11.17,-21.3,;21.81,-2.76,;23.15,-3.54,;21.81,-1.22,;23.14,-.46,;24.48,-1.21,;25.82,-.44,;23.13,1.07,;24.47,1.86,;21.79,1.83,)|
Show InChI InChI=1S/C50H56N9O17PS/c1-25(2)17-36(48(69)59-38(23-60)45(52)66)56-43(65)22-54-47(68)35(13-14-42(51)64)57-49(70)37(18-26-3-8-30(9-4-26)76-77(72,73)74)58-50(71)39(63)15-16-53-46(67)34-19-27(55-24-78)5-10-31(34)44-32-11-6-28(61)20-40(32)75-41-21-29(62)7-12-33(41)44/h3-12,19-21,25,35-39,60-61,63H,13-18,22-23H2,1-2H3,(H2,51,64)(H2,52,66)(H,53,67)(H,54,68)(H,56,65)(H,57,70)(H,58,71)(H,59,69)(H2,72,73,74)/t35-,36-,37-,38-,39+/m0/s1
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n/an/an/a 9.00E+3n/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding affinity to Shc Src homology 2 domain (unknown origin) by fluorescence anisotropy


J Med Chem 52: 1612-8 (2009)


Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens (Human))
BDBM50276321
PNG
(4-((2S,5S,11S,14S)-1-amino-11-(3-amino-3-oxopropyl...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)CC(O)CNC(=O)c1cc(ccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)N=C=S)C(=O)N[C@@H](CO)C(N)=O |r,wU:4.4,12.17,wD:21.34,72.76,(17.8,-.47,;19.14,-1.23,;20.47,-.47,;19.14,-2.78,;20.48,-3.54,;20.49,-5.08,;19.16,-5.86,;17.82,-5.1,;19.16,-7.39,;17.83,-8.17,;17.84,-9.71,;19.18,-10.47,;16.51,-10.48,;15.17,-9.71,;15.16,-8.17,;13.83,-7.41,;12.5,-8.18,;13.82,-5.87,;16.51,-12.02,;15.18,-12.79,;13.84,-12.03,;15.19,-14.33,;16.53,-15.1,;17.85,-14.32,;19.19,-15.1,;20.53,-14.31,;20.52,-12.77,;21.84,-12,;23.18,-12.76,;24.52,-13.53,;23.95,-11.42,;22.42,-14.1,;19.17,-12.01,;17.84,-12.79,;13.86,-15.1,;12.52,-14.34,;12.52,-12.8,;11.19,-15.12,;9.85,-14.35,;9.85,-12.81,;8.52,-15.12,;7.18,-14.35,;5.85,-15.12,;4.51,-14.36,;5.85,-16.67,;7.17,-17.44,;7.17,-18.98,;5.83,-19.75,;4.5,-18.98,;4.51,-17.44,;2.62,-16.76,;1.62,-17.95,;2.15,-19.39,;1.16,-20.57,;-.36,-20.3,;-1.36,-21.48,;-.88,-18.85,;.1,-17.68,;-.43,-16.22,;.58,-15.04,;.04,-13.6,;1.02,-12.42,;.5,-10.97,;2.56,-12.69,;3.08,-14.13,;2.09,-15.32,;8.5,-19.76,;9.84,-20.52,;11.17,-21.3,;21.81,-2.76,;23.15,-3.54,;21.81,-1.22,;23.14,-.46,;24.48,-1.21,;25.82,-.44,;23.13,1.07,;24.47,1.86,;21.79,1.83,)|
Show InChI InChI=1S/C50H56N9O17PS/c1-25(2)15-37(49(70)59-39(23-60)46(52)67)57-44(66)22-54-48(69)36(13-14-42(51)64)58-50(71)38(16-26-3-8-31(9-4-26)76-77(72,73)74)56-43(65)20-30(63)21-53-47(68)35-17-27(55-24-78)5-10-32(35)45-33-11-6-28(61)18-40(33)75-41-19-29(62)7-12-34(41)45/h3-12,17-19,25,30,36-39,60-61,63H,13-16,20-23H2,1-2H3,(H2,51,64)(H2,52,67)(H,53,68)(H,54,69)(H,56,65)(H,57,66)(H,58,71)(H,59,70)(H2,72,73,74)/t30?,36-,37-,38-,39-/m0/s1
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n/an/an/a 8.60E+3n/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding affinity to Shc Src homology 2 domain (unknown origin) by fluorescence anisotropy


J Med Chem 52: 1612-8 (2009)


Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens (Human))
BDBM50276320
PNG
(4-((2S,5S,11S,14S)-14-(5-acetamidopentanamido)-1-a...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)CCCCNC(C)=O)C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C32H51N8O13P/c1-18(2)14-23(31(48)40-25(17-41)29(34)46)38-28(45)16-36-30(47)22(11-12-26(33)43)39-32(49)24(37-27(44)6-4-5-13-35-19(3)42)15-20-7-9-21(10-8-20)53-54(50,51)52/h7-10,18,22-25,41H,4-6,11-17H2,1-3H3,(H2,33,43)(H2,34,46)(H,35,42)(H,36,47)(H,37,44)(H,38,45)(H,39,49)(H,40,48)(H2,50,51,52)/t22-,23-,24-,25-/m0/s1
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n/an/an/a 1.58E+5n/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Displacement of FITC-tagged NH-(CH2)4-CO-phospho-tyrosine-glutamine-glycine-leucine-serine-amide from Shc Src homology 2 domain (unknown origin) by f...


J Med Chem 52: 1612-8 (2009)


Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens (Human))
BDBM50276319
PNG
(4-((2S,5S,11S,14S)-1-amino-11-(3-amino-3-oxopropyl...)
Show SMILES CC(C)C[C@H](NC(=O)CCCCNC(=O)c1cc(ccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)N=C=S)C(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(N)=O |r,wU:80.84,wD:72.76,59.63,43.46,4.4,(13.96,-10.59,;13.94,-9.05,;15.26,-8.26,;12.59,-8.3,;12.57,-6.76,;11.23,-6,;9.9,-6.77,;9.9,-8.31,;8.57,-6,;7.24,-6.77,;5.9,-6,;4.57,-6.77,;3.24,-6,;1.9,-6.77,;.57,-6,;1.9,-8.31,;3.22,-9.08,;3.23,-10.62,;1.89,-11.39,;.56,-10.63,;.56,-9.09,;-1.32,-8.41,;-2.32,-9.59,;-1.79,-11.03,;-2.79,-12.21,;-4.3,-11.94,;-5.3,-13.11,;-4.82,-10.49,;-3.84,-9.32,;-4.37,-7.87,;-3.36,-6.69,;-3.9,-5.25,;-2.91,-4.06,;-3.44,-2.62,;-1.38,-4.34,;-.86,-5.77,;-1.85,-6.96,;4.56,-11.4,;5.89,-12.17,;7.23,-12.94,;13.89,-5.97,;15.24,-6.72,;13.87,-4.43,;15.19,-3.64,;16.54,-4.39,;17.86,-3.6,;19.2,-4.36,;20.53,-3.55,;20.49,-2.01,;21.81,-1.22,;23.15,-1.97,;24.49,-2.71,;23.9,-.61,;22.41,-3.29,;19.13,-1.27,;17.82,-2.07,;15.16,-2.1,;13.82,-1.35,;16.48,-1.31,;16.46,.23,;17.78,1.02,;17.76,2.56,;19.08,3.35,;20.42,2.61,;19.05,4.89,;15.12,.98,;13.79,.19,;15.09,2.52,;13.74,3.26,;13.72,4.8,;15.04,5.59,;12.38,5.55,;12.36,7.09,;13.68,7.89,;13.65,9.43,;14.96,10.22,;12.3,10.19,;11.01,7.85,;9.69,7.05,;10.98,9.39,;9.64,10.14,;8.32,9.34,;6.96,10.11,;9.62,11.67,;8.25,12.43,;10.93,12.46,)|
Show InChI InChI=1S/C57H69N10O17PS/c1-30(2)21-42(63-49(72)7-5-6-20-60-53(75)40-24-33(62-29-86)10-15-37(40)51-38-16-11-34(69)25-46(38)83-47-26-35(70)12-17-39(47)51)55(77)66-44(23-32-8-13-36(14-9-32)84-85(80,81)82)57(79)65-41(18-19-48(58)71)54(76)61-27-50(73)64-43(22-31(3)4)56(78)67-45(28-68)52(59)74/h8-17,24-26,30-31,41-45,68-69H,5-7,18-23,27-28H2,1-4H3,(H2,58,71)(H2,59,74)(H,60,75)(H,61,76)(H,63,72)(H,64,73)(H,65,79)(H,66,77)(H,67,78)(H2,80,81,82)/t41-,42-,43-,44-,45-/m0/s1
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n/an/an/a 8.90E+3n/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Binding affinity to Shc Src homology 2 domain (unknown origin) by fluorescence anisotropy


J Med Chem 52: 1612-8 (2009)


Article DOI: 10.1021/jm800789h
BindingDB Entry DOI: 10.7270/Q2XP74TZ
More data for this
Ligand-Target Pair
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