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Compile Data Set for Download or QSAR

Found 56 hits Enz. Inhib. hit(s) with Target = 'SHC-transforming protein 1' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
SHC-transforming protein 1


(Homo sapiens)
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
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...


Citation and Details
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens)
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
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...


Citation and Details
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens)
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
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...


Citation and Details
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens)
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
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...


Citation and Details
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens)
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
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...


Citation and Details
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens)
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
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...


Citation and Details
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens)
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
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...


Citation and Details
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens)
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
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...


Citation and Details
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens)
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
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...


Citation and Details
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens)
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
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...


Citation and Details
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens)
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
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...


Citation and Details
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens)
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
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...


Citation and Details
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens)
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
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...


Citation and Details
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens)
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
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...


Citation and Details
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens)
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
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...


Citation and Details
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens)
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
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...


Citation and Details
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens)
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
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...


Citation and Details
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens)
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
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...


Citation and Details
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens)
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
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...


Citation and Details
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens)
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
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...


Citation and Details
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens)
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
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...


Citation and Details
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens)
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
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...


Citation and Details
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens)
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
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...


Citation and Details
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens)
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
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...


Citation and Details
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens)
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
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...


Citation and Details
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens)
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
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...


Citation and Details
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens)
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
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...


Citation and Details
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens)
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
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...


Citation and Details
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens)
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
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...


Citation and Details
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens)
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
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...


Citation and Details
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens)
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
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...


Citation and Details
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens)
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
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...


Citation and Details
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens)
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
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...


Citation and Details
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens)
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
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...


Citation and Details
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens)
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
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...


Citation and Details
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens)
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
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


Citation and Details
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens)
BDBM50276328
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)Cc1cccc(NC(=O)c2cc(ccc2-c2c3ccc(O)cc3oc3cc(=O)ccc23)N=C=S)c1)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C54H56N9O16PS/c1-28(2)18-41(53(73)63-43(26-64)50(56)70)61-48(69)25-57-52(72)40(16-17-46(55)67)62-54(74)42(20-29-6-11-35(12-7-29)79-80(75,76)77)60-47(68)21-30-4-3-5-32(19-30)59-51(71)39-22-31(58-27-81)8-13-36(39)49-37-14-9-33(65)23-44(37)78-45-24-34(66)10-15-38(45)49/h3-15,19,22-24,28,40-43,64-65H,16-18,20-21,25-26H2,1-2H3,(H2,55,67)(H2,56,70)(H,57,72)(H,59,71)(H,60,68)(H,61,69)(H,62,74)(H,63,73)(H2,75,76,77)/t40-,41-,42-,43-/m0/s1
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n/an/an/a 770n/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


Citation and Details
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens)
BDBM50276329
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)C1CCN(CC1)C(=O)c1cc(ccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)N=C=S)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C52H58N9O16PS/c1-27(2)19-39(50(70)60-41(25-62)47(54)67)57-45(66)24-55-49(69)38(13-14-44(53)65)58-51(71)40(20-28-3-8-33(9-4-28)77-78(73,74)75)59-48(68)29-15-17-61(18-16-29)52(72)37-21-30(56-26-79)5-10-34(37)46-35-11-6-31(63)22-42(35)76-43-23-32(64)7-12-36(43)46/h3-12,21-23,27,29,38-41,62-63H,13-20,24-25H2,1-2H3,(H2,53,65)(H2,54,67)(H,55,69)(H,57,66)(H,58,71)(H,59,68)(H,60,70)(H2,73,74,75)/t38-,39-,40-,41-/m0/s1
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n/an/an/a 1.42E+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


Citation and Details
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens)
BDBM50276330
PNG
(CHEMBL454258 | 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](CC1)NC(=O)c1cc(ccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)N=C=S)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C53H60N9O16PS/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/h3-4,9-16,21-23,27,29-30,39-42,63-64H,5-8,17-20,24-25H2,1-2H3,(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)/t29-,30-,39-,40-,41-,42-/m0/s1
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n/an/an/a 2.54E+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


Citation and Details
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens)
BDBM50276331
PNG
(CHEMBL527088 | cis-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](CC1)NC(=O)c1cc(ccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)N=C=S)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C53H60N9O16PS/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/h3-4,9-16,21-23,27,29-30,39-42,63-64H,5-8,17-20,24-25H2,1-2H3,(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)/t29-,30+,39-,40-,41-,42-/m0/s1
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n/an/an/a 500n/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


Citation and Details
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens)
BDBM50276332
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(CNC(=O)c2cc(ccc2-c2c3ccc(O)cc3oc3cc(=O)ccc23)N=C=S)cc1)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C54H56N9O16PS/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/h3-16,21-23,28,40-43,64-65H,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)/t40-,41-,42-,43-/m0/s1
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n/an/an/a 1.23E+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


Citation and Details
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens)
BDBM50276312
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)c1cc(ccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)N=C=S)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C46H49N8O15PS/c1-23(2)15-34(45(63)54-36(21-55)42(48)60)51-40(59)20-49-44(62)33(13-14-39(47)58)52-46(64)35(16-24-3-8-28(9-4-24)69-70(65,66)67)53-43(61)32-17-25(50-22-71)5-10-29(32)41-30-11-6-26(56)18-37(30)68-38-19-27(57)7-12-31(38)41/h3-12,17-19,23,33-36,55-56H,13-16,20-21H2,1-2H3,(H2,47,58)(H2,48,60)(H,49,62)(H,51,59)(H,52,64)(H,53,61)(H,54,63)(H2,65,66,67)/t33-,34-,35-,36-/m0/s1
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n/an/an/a 1.24E+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


Citation and Details
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens)
BDBM50276314
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)CCCNC(=O)c1cc(ccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)N=C=S)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C50H56N9O16PS/c1-26(2)18-37(49(69)59-39(24-60)46(52)66)57-44(65)23-54-48(68)36(15-16-42(51)63)58-50(70)38(19-27-5-10-31(11-6-27)75-76(71,72)73)56-43(64)4-3-17-53-47(67)35-20-28(55-25-77)7-12-32(35)45-33-13-8-29(61)21-40(33)74-41-22-30(62)9-14-34(41)45/h5-14,20-22,26,36-39,60-61H,3-4,15-19,23-24H2,1-2H3,(H2,51,63)(H2,52,66)(H,53,67)(H,54,68)(H,56,64)(H,57,65)(H,58,70)(H,59,69)(H2,71,72,73)/t36-,37-,38-,39-/m0/s1
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n/an/an/a 7.20E+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


Citation and Details
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens)
BDBM50276315
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)CCCCNC(=O)c1cc(ccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)N=C=S)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C51H58N9O16PS/c1-27(2)19-38(50(70)60-40(25-61)47(53)67)58-45(66)24-55-49(69)37(16-17-43(52)64)59-51(71)39(20-28-6-11-32(12-7-28)76-77(72,73)74)57-44(65)5-3-4-18-54-48(68)36-21-29(56-26-78)8-13-33(36)46-34-14-9-30(62)22-41(34)75-42-23-31(63)10-15-35(42)46/h6-15,21-23,27,37-40,61-62H,3-5,16-20,24-25H2,1-2H3,(H2,52,64)(H2,53,67)(H,54,68)(H,55,69)(H,57,65)(H,58,66)(H,59,71)(H,60,70)(H2,72,73,74)/t37-,38-,39-,40-/m0/s1
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n/an/an/a 350n/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


Citation and Details
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens)
BDBM50276316
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)CCCCCNC(=O)c1cc(ccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)N=C=S)C(=O)N[C@@H](CO)C(N)=O
Show InChI InChI=1S/C52H60N9O16PS/c1-28(2)20-39(51(71)61-41(26-62)48(54)68)59-46(67)25-56-50(70)38(17-18-44(53)65)60-52(72)40(21-29-7-12-33(13-8-29)77-78(73,74)75)58-45(66)6-4-3-5-19-55-49(69)37-22-30(57-27-79)9-14-34(37)47-35-15-10-31(63)23-42(35)76-43-24-32(64)11-16-36(43)47/h7-16,22-24,28,38-41,62-63H,3-6,17-21,25-26H2,1-2H3,(H2,53,65)(H2,54,68)(H,55,69)(H,56,70)(H,58,66)(H,59,67)(H,60,72)(H,61,71)(H2,73,74,75)/t38-,39-,40-,41-/m0/s1
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n/an/an/a 4.70E+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


Citation and Details
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens)
BDBM50276317
PNG
(4-((2S,5S,11S,14S)-1-amino-11-(3-amino-3-oxopropyl...)
Show SMILES CC(C)C[C@H](NC(=O)CCNC(=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
Show InChI InChI=1S/C55H65N10O17PS/c1-28(2)19-40(61-47(70)17-18-58-51(73)38-22-31(60-27-84)7-12-35(38)49-36-13-8-32(67)23-44(36)81-45-24-33(68)9-14-37(45)49)53(75)64-42(21-30-5-10-34(11-6-30)82-83(78,79)80)55(77)63-39(15-16-46(56)69)52(74)59-25-48(71)62-41(20-29(3)4)54(76)65-43(26-66)50(57)72/h5-14,22-24,28-29,39-43,66-67H,15-21,25-26H2,1-4H3,(H2,56,69)(H2,57,72)(H,58,73)(H,59,74)(H,61,70)(H,62,71)(H,63,77)(H,64,75)(H,65,76)(H2,78,79,80)/t39-,40-,41-,42-,43-/m0/s1
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n/an/an/a 7.60E+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


Citation and Details
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens)
BDBM50276318
PNG
(4-((2S,5S,11S,14S)-1-amino-11-(3-amino-3-oxopropyl...)
Show SMILES CC(C)C[C@H](NC(=O)CCCNC(=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
Show InChI InChI=1S/C56H67N10O17PS/c1-29(2)20-41(62-48(71)6-5-19-59-52(74)39-23-32(61-28-85)9-14-36(39)50-37-15-10-33(68)24-45(37)82-46-25-34(69)11-16-38(46)50)54(76)65-43(22-31-7-12-35(13-8-31)83-84(79,80)81)56(78)64-40(17-18-47(57)70)53(75)60-26-49(72)63-42(21-30(3)4)55(77)66-44(27-67)51(58)73/h7-16,23-25,29-30,40-44,67-68H,5-6,17-22,26-27H2,1-4H3,(H2,57,70)(H2,58,73)(H,59,74)(H,60,75)(H,62,71)(H,63,72)(H,64,78)(H,65,76)(H,66,77)(H2,79,80,81)/t40-,41-,42-,43-,44-/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


Citation and Details
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens)
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
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


Citation and Details
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens)
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
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...


Citation and Details
More data for this
Ligand-Target Pair
SHC-transforming protein 1


(Homo sapiens)
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
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


Citation and Details
More data for this
Ligand-Target Pair
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