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Compile Data Set for Download or QSAR

Found 104 hits with Last Name = 'fergus' and Initial = 'jh'   
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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50291640
PNG
(CHEMBL274146 | Dipeptide Ligand)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(N)=O
Show InChI InChI=1S/C29H35N4O16P3/c1-17(34)31-25(15-19-4-10-22(11-5-19)48-51(41,42)43)28(36)33-26(16-20-6-12-23(13-7-20)49-52(44,45)46)29(37)32-24(27(30)35)14-18-2-8-21(9-3-18)47-50(38,39)40/h2-13,24-26H,14-16H2,1H3,(H2,30,35)(H,31,34)(H,32,37)(H,33,36)(H2,38,39,40)(H2,41,42,43)(H2,44,45,46)/t24-,25-,26-/m0/s1
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n/an/a 240n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-labeled phosphopeptide binding to a Src protein tryrosine kinase SH2 domain.


Bioorg Med Chem Lett 7: 1107-1112 (1997)


Article DOI: 10.1016/S0960-894X(97)00190-X
BindingDB Entry DOI: 10.7270/Q24F1QR8
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50287070
PNG
((S)-2-[(2S,3S)-2-(4-Carboxy-2-{4-carboxy-2-[(R)-3-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](CC(O)=O)Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C32H45N4O18P/c1-3-16(2)27(31(48)35-22(32(49)50)10-13-25(41)42)36-30(47)21(9-12-24(39)40)34-29(46)20(8-11-23(37)38)33-28(45)18(15-26(43)44)14-17-4-6-19(7-5-17)54-55(51,52)53/h4-7,16,18,20-22,27H,3,8-15H2,1-2H3,(H,33,45)(H,34,46)(H,35,48)(H,36,47)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,49,50)(H2,51,52,53)/t16-,18+,20?,21?,22-,27-/m0/s1
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n/an/a 350n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to p60 src SH2 domain.


Bioorg Med Chem Lett 6: 1209-1214 (1996)


Article DOI: 10.1016/0960-894X(96)00208-9
BindingDB Entry DOI: 10.7270/Q26W9B2W
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50060738
PNG
(2-[2-(4-Carboxy-2-{4-carboxy-2-[(R)-3-carboxy-2-(4...)
Show SMILES CCC(C)C(NC(=O)C(CCC(O)=O)NC(=O)C(CCC(O)=O)NC(=O)[C@@H](CC(O)=O)Cc1ccc(OP(O)(O)=O)cc1)C(=O)NC(CCC(O)=O)C(O)=O
Show InChI InChI=1S/C32H45N4O18P/c1-3-16(2)27(31(48)35-22(32(49)50)10-13-25(41)42)36-30(47)21(9-12-24(39)40)34-29(46)20(8-11-23(37)38)33-28(45)18(15-26(43)44)14-17-4-6-19(7-5-17)54-55(51,52)53/h4-7,16,18,20-22,27H,3,8-15H2,1-2H3,(H,33,45)(H,34,46)(H,35,48)(H,36,47)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,49,50)(H2,51,52,53)/t16?,18-,20?,21?,22?,27?/m1/s1
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n/an/a 400n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of [125I]-phosphopeptide binding to Src SH2 domain.


J Med Chem 40: 3719-25 (1997)


Article DOI: 10.1021/jm970402q
BindingDB Entry DOI: 10.7270/Q2D21WQK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50060735
PNG
(2-[2-(2-{2-[(S)-2-Acetylamino-3-(4-phosphonooxy-ph...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C32H46N5O17P/c1-4-16(2)27(31(48)36-22(32(49)50)11-14-26(43)44)37-29(46)21(10-13-25(41)42)34-28(45)20(9-12-24(39)40)35-30(47)23(33-17(3)38)15-18-5-7-19(8-6-18)54-55(51,52)53/h5-8,16,20-23,27H,4,9-15H2,1-3H3,(H,33,38)(H,34,45)(H,35,47)(H,36,48)(H,37,46)(H,39,40)(H,41,42)(H,43,44)(H,49,50)(H2,51,52,53)/t16-,20-,21-,22-,23-,27-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Radioligand displacement assay for the binding of [125I]-Glu-Pro-Gln-pTyr-Glu-Glu-Ile-Pro-Ile-Tyr-Leu to SRC SH2 domain


Bioorg Med Chem Lett 7: 1909-1914 (1997)


Article DOI: 10.1016/S0960-894X(97)00334-X
BindingDB Entry DOI: 10.7270/Q26110BP
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50060735
PNG
(2-[2-(2-{2-[(S)-2-Acetylamino-3-(4-phosphonooxy-ph...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C32H46N5O17P/c1-4-16(2)27(31(48)36-22(32(49)50)11-14-26(43)44)37-29(46)21(10-13-25(41)42)34-28(45)20(9-12-24(39)40)35-30(47)23(33-17(3)38)15-18-5-7-19(8-6-18)54-55(51,52)53/h5-8,16,20-23,27H,4,9-15H2,1-3H3,(H,33,38)(H,34,45)(H,35,47)(H,36,48)(H,37,46)(H,39,40)(H,41,42)(H,43,44)(H,49,50)(H2,51,52,53)/t16-,20-,21-,22-,23-,27-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of [125I]-phosphopeptide binding to Src SH2 domain.


J Med Chem 40: 3719-25 (1997)


Article DOI: 10.1021/jm970402q
BindingDB Entry DOI: 10.7270/Q2D21WQK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50450413
PNG
(CHEMBL328907)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C32H46N5O17P/c1-4-16(2)27(31(48)36-22(32(49)50)11-14-26(43)44)37-29(46)21(10-13-25(41)42)34-28(45)20(9-12-24(39)40)35-30(47)23(33-17(3)38)15-18-5-7-19(8-6-18)54-55(51,52)53/h5-8,16,20-23,27H,4,9-15H2,1-3H3,(H,33,38)(H,34,45)(H,35,47)(H,36,48)(H,37,46)(H,39,40)(H,41,42)(H,43,44)(H,49,50)(H2,51,52,53)/t16-,20-,21-,22-,23+,27-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to p60 src SH2 domain.


Bioorg Med Chem Lett 6: 1209-1214 (1996)


Article DOI: 10.1016/0960-894X(96)00208-9
BindingDB Entry DOI: 10.7270/Q26W9B2W
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50060736
PNG
((S)-4-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(O)=O)C(=O)NCCCC1CCCCC1
Show InChI InChI=1S/C25H38N3O9P/c1-17(29)27-22(16-19-9-11-20(12-10-19)37-38(34,35)36)25(33)28-21(13-14-23(30)31)24(32)26-15-5-8-18-6-3-2-4-7-18/h9-12,18,21-22H,2-8,13-16H2,1H3,(H,26,32)(H,27,29)(H,28,33)(H,30,31)(H2,34,35,36)/t21-,22-/m0/s1
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n/an/a 800n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of [125I]-phosphopeptide binding to Src SH2 domain.


J Med Chem 40: 3719-25 (1997)


Article DOI: 10.1021/jm970402q
BindingDB Entry DOI: 10.7270/Q2D21WQK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50289749
PNG
(CHEMBL414123 | Glu-Pro-Gln-pTyr-Glu-Glu-Ile-Pro-Il...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC(O)=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C66H97N12O24P/c1-7-35(5)54(63(94)73-46(32-37-13-17-39(79)18-14-37)60(91)74-47(66(97)98)31-34(3)4)75-62(93)49-12-10-30-78(49)65(96)55(36(6)8-2)76-58(89)44(24-28-53(85)86)69-56(87)43(23-27-52(83)84)70-59(90)45(33-38-15-19-40(20-16-38)102-103(99,100)101)72-57(88)42(22-25-50(68)80)71-61(92)48-11-9-29-77(48)64(95)41(67)21-26-51(81)82/h13-20,34-36,41-49,54-55,79H,7-12,21-33,67H2,1-6H3,(H2,68,80)(H,69,87)(H,70,90)(H,71,92)(H,72,88)(H,73,94)(H,74,91)(H,75,93)(H,76,89)(H,81,82)(H,83,84)(H,85,86)(H,97,98)(H2,99,100,101)/t35-,36-,41-,42-,43-,44-,45-,46-,47-,48-,49-,54-,55-/m0/s1
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n/an/a 800n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Radioligand displacement assay for the binding of [125I]-Glu-Pro-Gln-pTyr-Glu-Glu-Ile-Pro-Ile-Tyr-Leu to SRC SH2 domain


Bioorg Med Chem Lett 7: 1909-1914 (1997)


Article DOI: 10.1016/S0960-894X(97)00334-X
BindingDB Entry DOI: 10.7270/Q26110BP
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50289749
PNG
(CHEMBL414123 | Glu-Pro-Gln-pTyr-Glu-Glu-Ile-Pro-Il...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC(O)=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C66H97N12O24P/c1-7-35(5)54(63(94)73-46(32-37-13-17-39(79)18-14-37)60(91)74-47(66(97)98)31-34(3)4)75-62(93)49-12-10-30-78(49)65(96)55(36(6)8-2)76-58(89)44(24-28-53(85)86)69-56(87)43(23-27-52(83)84)70-59(90)45(33-38-15-19-40(20-16-38)102-103(99,100)101)72-57(88)42(22-25-50(68)80)71-61(92)48-11-9-29-77(48)64(95)41(67)21-26-51(81)82/h13-20,34-36,41-49,54-55,79H,7-12,21-33,67H2,1-6H3,(H2,68,80)(H,69,87)(H,70,90)(H,71,92)(H,72,88)(H,73,94)(H,74,91)(H,75,93)(H,76,89)(H,81,82)(H,83,84)(H,85,86)(H,97,98)(H2,99,100,101)/t35-,36-,41-,42-,43-,44-,45-,46-,47-,48-,49-,54-,55-/m0/s1
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n/an/a 800n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [35S]-labeled SH2-GST Abl binding to the phospho-PDGF receptor intracellular domain


Bioorg Med Chem Lett 7: 1909-1914 (1997)


Article DOI: 10.1016/S0960-894X(97)00334-X
BindingDB Entry DOI: 10.7270/Q26110BP
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50289743
PNG
((S)-4-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)...)
Show SMILES CN(CCCC1CCCCC1)C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O
Show InChI InChI=1S/C26H40N3O9P/c1-18(30)27-23(17-20-10-12-21(13-11-20)38-39(35,36)37)25(33)28-22(14-15-24(31)32)26(34)29(2)16-6-9-19-7-4-3-5-8-19/h10-13,19,22-23H,3-9,14-17H2,1-2H3,(H,27,30)(H,28,33)(H,31,32)(H2,35,36,37)/t22-,23-/m0/s1
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n/an/a 800n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [35S]-labeled SH2-GST Abl binding to the phospho-PDGF receptor intracellular domain


Bioorg Med Chem Lett 7: 1909-1914 (1997)


Article DOI: 10.1016/S0960-894X(97)00334-X
BindingDB Entry DOI: 10.7270/Q26110BP
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50289748
PNG
((S)-2-{(2S,3S)-2-[(S)-2-((S)-2-{(S)-2-Acetylamino-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C33H46F2N5O16P/c1-4-16(2)27(31(51)39-22(32(52)53)11-14-26(46)47)40-29(49)21(10-13-25(44)45)37-28(48)20(9-12-24(42)43)38-30(50)23(36-17(3)41)15-18-5-7-19(8-6-18)33(34,35)57(54,55)56/h5-8,16,20-23,27H,4,9-15H2,1-3H3,(H,36,41)(H,37,48)(H,38,50)(H,39,51)(H,40,49)(H,42,43)(H,44,45)(H,46,47)(H,52,53)(H2,54,55,56)/t16-,20-,21-,22-,23-,27-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [35S]-labeled SH2-GST Abl binding to the phospho-PDGF receptor intracellular domain


Bioorg Med Chem Lett 7: 1909-1914 (1997)


Article DOI: 10.1016/S0960-894X(97)00334-X
BindingDB Entry DOI: 10.7270/Q26110BP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50289748
PNG
((S)-2-{(2S,3S)-2-[(S)-2-((S)-2-{(S)-2-Acetylamino-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C33H46F2N5O16P/c1-4-16(2)27(31(51)39-22(32(52)53)11-14-26(46)47)40-29(49)21(10-13-25(44)45)37-28(48)20(9-12-24(42)43)38-30(50)23(36-17(3)41)15-18-5-7-19(8-6-18)33(34,35)57(54,55)56/h5-8,16,20-23,27H,4,9-15H2,1-3H3,(H,36,41)(H,37,48)(H,38,50)(H,39,51)(H,40,49)(H,42,43)(H,44,45)(H,46,47)(H,52,53)(H2,54,55,56)/t16-,20-,21-,22-,23-,27-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Radioligand displacement assay for the binding of [125I]-Glu-Pro-Gln-pTyr-Glu-Glu-Ile-Pro-Ile-Tyr-Leu to ABL SH2 domain


Bioorg Med Chem Lett 7: 1909-1914 (1997)


Article DOI: 10.1016/S0960-894X(97)00334-X
BindingDB Entry DOI: 10.7270/Q26110BP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50289747
PNG
((S)-4-{(S)-2-Acetylamino-3-[4-(difluoro-phosphono-...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC1CCCCC1)C(N)=O
Show InChI InChI=1S/C27H39F2N4O9P/c1-16(34)31-22(15-18-7-10-19(11-8-18)27(28,29)43(40,41)42)26(39)33-21(13-14-23(35)36)25(38)32-20(24(30)37)12-9-17-5-3-2-4-6-17/h7-8,10-11,17,20-22H,2-6,9,12-15H2,1H3,(H2,30,37)(H,31,34)(H,32,38)(H,33,39)(H,35,36)(H2,40,41,42)/t20-,21-,22-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [35S]-labeled SH2-GST Src binding to phospho-PDGF receptor intracellular domain


Bioorg Med Chem Lett 7: 1909-1914 (1997)


Article DOI: 10.1016/S0960-894X(97)00334-X
BindingDB Entry DOI: 10.7270/Q26110BP
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50450413
PNG
(CHEMBL328907)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C32H46N5O17P/c1-4-16(2)27(31(48)36-22(32(49)50)11-14-26(43)44)37-29(46)21(10-13-25(41)42)34-28(45)20(9-12-24(39)40)35-30(47)23(33-17(3)38)15-18-5-7-19(8-6-18)54-55(51,52)53/h5-8,16,20-23,27H,4,9-15H2,1-3H3,(H,33,38)(H,34,45)(H,35,47)(H,36,48)(H,37,46)(H,39,40)(H,41,42)(H,43,44)(H,49,50)(H2,51,52,53)/t16-,20-,21-,22-,23+,27-/m0/s1
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n/an/a 1.35E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of src SH2 domain binding to PDGF receptor


Bioorg Med Chem Lett 6: 1209-1214 (1996)


Article DOI: 10.1016/0960-894X(96)00208-9
BindingDB Entry DOI: 10.7270/Q26W9B2W
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50287069
PNG
((S)-2-[(2S,3S)-2-(4-Carboxy-2-{4-carboxy-2-[2-(2-h...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)C(Cc1ccc(OP(O)(O)=O)cc1)c1ccccc1O)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C36H47N4O17P/c1-3-19(2)31(35(51)39-26(36(52)53)14-17-30(46)47)40-34(50)25(13-16-29(44)45)38-33(49)24(12-15-28(42)43)37-32(48)23(22-6-4-5-7-27(22)41)18-20-8-10-21(11-9-20)57-58(54,55)56/h4-11,19,23-26,31,41H,3,12-18H2,1-2H3,(H,37,48)(H,38,49)(H,39,51)(H,40,50)(H,42,43)(H,44,45)(H,46,47)(H,52,53)(H2,54,55,56)/t19-,23?,24?,25?,26-,31-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to p60 src SH2 domain.


Bioorg Med Chem Lett 6: 1209-1214 (1996)


Article DOI: 10.1016/0960-894X(96)00208-9
BindingDB Entry DOI: 10.7270/Q26W9B2W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50289747
PNG
((S)-4-{(S)-2-Acetylamino-3-[4-(difluoro-phosphono-...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC1CCCCC1)C(N)=O
Show InChI InChI=1S/C27H39F2N4O9P/c1-16(34)31-22(15-18-7-10-19(11-8-18)27(28,29)43(40,41)42)26(39)33-21(13-14-23(35)36)25(38)32-20(24(30)37)12-9-17-5-3-2-4-6-17/h7-8,10-11,17,20-22H,2-6,9,12-15H2,1H3,(H2,30,37)(H,31,34)(H,32,38)(H,33,39)(H,35,36)(H2,40,41,42)/t20-,21-,22-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [35S]-labeled SH2-GST Abl binding to the phospho-PDGF receptor intracellular domain


Bioorg Med Chem Lett 7: 1909-1914 (1997)


Article DOI: 10.1016/S0960-894X(97)00334-X
BindingDB Entry DOI: 10.7270/Q26110BP
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50060735
PNG
(2-[2-(2-{2-[(S)-2-Acetylamino-3-(4-phosphonooxy-ph...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C32H46N5O17P/c1-4-16(2)27(31(48)36-22(32(49)50)11-14-26(43)44)37-29(46)21(10-13-25(41)42)34-28(45)20(9-12-24(39)40)35-30(47)23(33-17(3)38)15-18-5-7-19(8-6-18)54-55(51,52)53/h5-8,16,20-23,27H,4,9-15H2,1-3H3,(H,33,38)(H,34,45)(H,35,47)(H,36,48)(H,37,46)(H,39,40)(H,41,42)(H,43,44)(H,49,50)(H2,51,52,53)/t16-,20-,21-,22-,23-,27-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [35S]-labeled SH2-GST Src binding to phospho-PDGF receptor intracellular domain


Bioorg Med Chem Lett 7: 1909-1914 (1997)


Article DOI: 10.1016/S0960-894X(97)00334-X
BindingDB Entry DOI: 10.7270/Q26110BP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50289746
PNG
(CHEMBL298813 | {[4-((S)-2-Acetylamino-2-{(S)-1-[(3...)
Show SMILES CC[C@H](NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(C)=O)C(=O)N(C)CCCC1CCCCC1
Show InChI InChI=1S/C26H40F2N3O6P/c1-4-22(25(34)31(3)16-8-11-19-9-6-5-7-10-19)30-24(33)23(29-18(2)32)17-20-12-14-21(15-13-20)26(27,28)38(35,36)37/h12-15,19,22-23H,4-11,16-17H2,1-3H3,(H,29,32)(H,30,33)(H2,35,36,37)/t22-,23-/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Radioligand displacement assay for the binding of [125I]-Glu-Pro-Gln-pTyr-Glu-Glu-Ile-Pro-Ile-Tyr-Leu to ABL SH2 domain


Bioorg Med Chem Lett 7: 1909-1914 (1997)


Article DOI: 10.1016/S0960-894X(97)00334-X
BindingDB Entry DOI: 10.7270/Q26110BP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50289750
PNG
((S)-4-{(S)-2-Acetylamino-3-[4-(difluoro-phosphono-...)
Show SMILES CN(CCCC1CCCCC1)C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(C)=O
Show InChI InChI=1S/C27H40F2N3O8P/c1-18(33)30-23(17-20-10-12-21(13-11-20)27(28,29)41(38,39)40)25(36)31-22(14-15-24(34)35)26(37)32(2)16-6-9-19-7-4-3-5-8-19/h10-13,19,22-23H,3-9,14-17H2,1-2H3,(H,30,33)(H,31,36)(H,34,35)(H2,38,39,40)/t22-,23-/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Radioligand displacement assay for the binding of [125I]-Glu-Pro-Gln-pTyr-Glu-Glu-Ile-Pro-Ile-Tyr-Leu to ABL SH2 domain


Bioorg Med Chem Lett 7: 1909-1914 (1997)


Article DOI: 10.1016/S0960-894X(97)00334-X
BindingDB Entry DOI: 10.7270/Q26110BP
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50289743
PNG
((S)-4-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)...)
Show SMILES CN(CCCC1CCCCC1)C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O
Show InChI InChI=1S/C26H40N3O9P/c1-18(30)27-23(17-20-10-12-21(13-11-20)38-39(35,36)37)25(33)28-22(14-15-24(31)32)26(34)29(2)16-6-9-19-7-4-3-5-8-19/h10-13,19,22-23H,3-9,14-17H2,1-2H3,(H,27,30)(H,28,33)(H,31,32)(H2,35,36,37)/t22-,23-/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-labeled phosphopeptide binding to a Src protein tryrosine kinase SH2 domain.


Bioorg Med Chem Lett 7: 1107-1112 (1997)


Article DOI: 10.1016/S0960-894X(97)00190-X
BindingDB Entry DOI: 10.7270/Q24F1QR8
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50060734
PNG
((S)-4-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@H](CCC1CCCCC1)C(N)=O
Show InChI InChI=1S/C26H39N4O10P/c1-16(31)28-22(15-18-7-10-19(11-8-18)40-41(37,38)39)26(36)30-21(13-14-23(32)33)25(35)29-20(24(27)34)12-9-17-5-3-2-4-6-17/h7-8,10-11,17,20-22H,2-6,9,12-15H2,1H3,(H2,27,34)(H,28,31)(H,29,35)(H,30,36)(H,32,33)(H2,37,38,39)/t20-,21+,22+/m1/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of [125I]-phosphopeptide binding to Src SH2 domain.


J Med Chem 40: 3719-25 (1997)


Article DOI: 10.1021/jm970402q
BindingDB Entry DOI: 10.7270/Q2D21WQK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50289752
PNG
(CHEMBL413629 | Glu-Pro-Gln-F2Pmp-Glu-Glu-Ile-Pro-I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC(O)=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C67H97F2N12O23P/c1-7-35(5)54(63(97)76-46(33-38-15-19-40(82)20-16-38)60(94)77-47(66(100)101)31-34(3)4)78-62(96)49-12-10-30-81(49)65(99)55(36(6)8-2)79-58(92)44(24-28-53(88)89)72-56(90)43(23-27-52(86)87)73-59(93)45(32-37-13-17-39(18-14-37)67(68,69)105(102,103)104)75-57(91)42(22-25-50(71)83)74-61(95)48-11-9-29-80(48)64(98)41(70)21-26-51(84)85/h13-20,34-36,41-49,54-55,82H,7-12,21-33,70H2,1-6H3,(H2,71,83)(H,72,90)(H,73,93)(H,74,95)(H,75,91)(H,76,97)(H,77,94)(H,78,96)(H,79,92)(H,84,85)(H,86,87)(H,88,89)(H,100,101)(H2,102,103,104)/t35-,36-,41-,42-,43-,44-,45-,46-,47-,48-,49-,54-,55-/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Radioligand displacement assay for the binding of [125I]-Glu-Pro-Gln-pTyr-Glu-Glu-Ile-Pro-Ile-Tyr-Leu to SRC SH2 domain


Bioorg Med Chem Lett 7: 1909-1914 (1997)


Article DOI: 10.1016/S0960-894X(97)00334-X
BindingDB Entry DOI: 10.7270/Q26110BP
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50289742
PNG
((S)-4-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC1CCCCC1)C(N)=O
Show InChI InChI=1S/C26H39N4O10P/c1-16(31)28-22(15-18-7-10-19(11-8-18)40-41(37,38)39)26(36)30-21(13-14-23(32)33)25(35)29-20(24(27)34)12-9-17-5-3-2-4-6-17/h7-8,10-11,17,20-22H,2-6,9,12-15H2,1H3,(H2,27,34)(H,28,31)(H,29,35)(H,30,36)(H,32,33)(H2,37,38,39)/t20-,21-,22-/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Radioligand displacement assay for the binding of [125I]-Glu-Pro-Gln-pTyr-Glu-Glu-Ile-Pro-Ile-Tyr-Leu to ABL SH2 domain


Bioorg Med Chem Lett 7: 1909-1914 (1997)


Article DOI: 10.1016/S0960-894X(97)00334-X
BindingDB Entry DOI: 10.7270/Q26110BP
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50291638
PNG
((S)-4-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N(CCCC(O)=O)CCCc1ccccc1
Show InChI InChI=1S/C29H38N3O11P/c1-20(33)30-25(19-22-11-13-23(14-12-22)43-44(40,41)42)28(38)31-24(15-16-27(36)37)29(39)32(18-6-10-26(34)35)17-5-9-21-7-3-2-4-8-21/h2-4,7-8,11-14,24-25H,5-6,9-10,15-19H2,1H3,(H,30,33)(H,31,38)(H,34,35)(H,36,37)(H2,40,41,42)/t24-,25-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-labeled phosphopeptide binding to a Src protein tryrosine kinase SH2 domain.


Bioorg Med Chem Lett 7: 1107-1112 (1997)


Article DOI: 10.1016/S0960-894X(97)00190-X
BindingDB Entry DOI: 10.7270/Q24F1QR8
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50060734
PNG
((S)-4-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@H](CCC1CCCCC1)C(N)=O
Show InChI InChI=1S/C26H39N4O10P/c1-16(31)28-22(15-18-7-10-19(11-8-18)40-41(37,38)39)26(36)30-21(13-14-23(32)33)25(35)29-20(24(27)34)12-9-17-5-3-2-4-6-17/h7-8,10-11,17,20-22H,2-6,9,12-15H2,1H3,(H2,27,34)(H,28,31)(H,29,35)(H,30,36)(H,32,33)(H2,37,38,39)/t20-,21+,22+/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-labeled phosphopeptide binding to a Src protein tryrosine kinase SH2 domain.


Bioorg Med Chem Lett 7: 1107-1112 (1997)


Article DOI: 10.1016/S0960-894X(97)00190-X
BindingDB Entry DOI: 10.7270/Q24F1QR8
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50287075
PNG
((S)-2-[(2S,3S)-2-(4-Carboxy-2-{4-carboxy-2-[2-(3-h...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C(CCC(O)=O)NC(=O)C(CCC(O)=O)NC(=O)C(Cc1ccc(OP(O)(O)=O)cc1)c1cccc(O)c1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C36H47N4O17P/c1-3-19(2)31(35(51)39-27(36(52)53)13-16-30(46)47)40-34(50)26(12-15-29(44)45)38-33(49)25(11-14-28(42)43)37-32(48)24(21-5-4-6-22(41)18-21)17-20-7-9-23(10-8-20)57-58(54,55)56/h4-10,18-19,24-27,31,41H,3,11-17H2,1-2H3,(H,37,48)(H,38,49)(H,39,51)(H,40,50)(H,42,43)(H,44,45)(H,46,47)(H,52,53)(H2,54,55,56)/t19-,24?,25?,26?,27-,31-/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to p60 src SH2 domain.


Bioorg Med Chem Lett 6: 1209-1214 (1996)


Article DOI: 10.1016/0960-894X(96)00208-9
BindingDB Entry DOI: 10.7270/Q26W9B2W
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50287075
PNG
((S)-2-[(2S,3S)-2-(4-Carboxy-2-{4-carboxy-2-[2-(3-h...)
Show SMILES CC[C@H](C)[C@H](NC(=O)C(CCC(O)=O)NC(=O)C(CCC(O)=O)NC(=O)C(Cc1ccc(OP(O)(O)=O)cc1)c1cccc(O)c1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C36H47N4O17P/c1-3-19(2)31(35(51)39-27(36(52)53)13-16-30(46)47)40-34(50)26(12-15-29(44)45)38-33(49)25(11-14-28(42)43)37-32(48)24(21-5-4-6-22(41)18-21)17-20-7-9-23(10-8-20)57-58(54,55)56/h4-10,18-19,24-27,31,41H,3,11-17H2,1-2H3,(H,37,48)(H,38,49)(H,39,51)(H,40,50)(H,42,43)(H,44,45)(H,46,47)(H,52,53)(H2,54,55,56)/t19-,24?,25?,26?,27-,31-/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to p60 src SH2 domain.


Bioorg Med Chem Lett 6: 1209-1214 (1996)


Article DOI: 10.1016/0960-894X(96)00208-9
BindingDB Entry DOI: 10.7270/Q26W9B2W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50289750
PNG
((S)-4-{(S)-2-Acetylamino-3-[4-(difluoro-phosphono-...)
Show SMILES CN(CCCC1CCCCC1)C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(C)=O
Show InChI InChI=1S/C27H40F2N3O8P/c1-18(33)30-23(17-20-10-12-21(13-11-20)27(28,29)41(38,39)40)25(36)31-22(14-15-24(34)35)26(37)32(2)16-6-9-19-7-4-3-5-8-19/h10-13,19,22-23H,3-9,14-17H2,1-2H3,(H,30,33)(H,31,36)(H,34,35)(H2,38,39,40)/t22-,23-/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Functional antagonism against ETA receptor in rat aortic rings expressed as pA2 value


Bioorg Med Chem Lett 7: 1909-1914 (1997)


Article DOI: 10.1016/S0960-894X(97)00334-X
BindingDB Entry DOI: 10.7270/Q26110BP
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50291647
PNG
(4-[2-Acetylamino-3-(4-phosphonooxy-phenyl)-propion...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)Cc1cccc2ccccc12
Show InChI InChI=1S/C31H37N4O10P/c1-19(36)33-27(17-20-9-12-24(13-10-20)45-46(42,43)44)31(41)35-26(14-16-29(38)39)30(40)34-23(11-15-28(32)37)18-22-7-4-6-21-5-2-3-8-25(21)22/h2-10,12-13,23,26-27H,11,14-18H2,1H3,(H2,32,37)(H,33,36)(H,34,40)(H,35,41)(H,38,39)(H2,42,43,44)/t23-,26-,27-/m0/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-labeled phosphopeptide binding to a Src protein tryrosine kinase SH2 domain.


Bioorg Med Chem Lett 7: 1107-1112 (1997)


Article DOI: 10.1016/S0960-894X(97)00190-X
BindingDB Entry DOI: 10.7270/Q24F1QR8
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50060735
PNG
(2-[2-(2-{2-[(S)-2-Acetylamino-3-(4-phosphonooxy-ph...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C32H46N5O17P/c1-4-16(2)27(31(48)36-22(32(49)50)11-14-26(43)44)37-29(46)21(10-13-25(41)42)34-28(45)20(9-12-24(39)40)35-30(47)23(33-17(3)38)15-18-5-7-19(8-6-18)54-55(51,52)53/h5-8,16,20-23,27H,4,9-15H2,1-3H3,(H,33,38)(H,34,45)(H,35,47)(H,36,48)(H,37,46)(H,39,40)(H,41,42)(H,43,44)(H,49,50)(H2,51,52,53)/t16-,20-,21-,22-,23-,27-/m0/s1
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n/an/a 2.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to p60 src SH2 domain.


Bioorg Med Chem Lett 6: 1209-1214 (1996)


Article DOI: 10.1016/0960-894X(96)00208-9
BindingDB Entry DOI: 10.7270/Q26W9B2W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50289749
PNG
(CHEMBL414123 | Glu-Pro-Gln-pTyr-Glu-Glu-Ile-Pro-Il...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC(O)=O)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C66H97N12O24P/c1-7-35(5)54(63(94)73-46(32-37-13-17-39(79)18-14-37)60(91)74-47(66(97)98)31-34(3)4)75-62(93)49-12-10-30-78(49)65(96)55(36(6)8-2)76-58(89)44(24-28-53(85)86)69-56(87)43(23-27-52(83)84)70-59(90)45(33-38-15-19-40(20-16-38)102-103(99,100)101)72-57(88)42(22-25-50(68)80)71-61(92)48-11-9-29-77(48)64(95)41(67)21-26-51(81)82/h13-20,34-36,41-49,54-55,79H,7-12,21-33,67H2,1-6H3,(H2,68,80)(H,69,87)(H,70,90)(H,71,92)(H,72,88)(H,73,94)(H,74,91)(H,75,93)(H,76,89)(H,81,82)(H,83,84)(H,85,86)(H,97,98)(H2,99,100,101)/t35-,36-,41-,42-,43-,44-,45-,46-,47-,48-,49-,54-,55-/m0/s1
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n/an/a 2.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [35S]-labeled SH2-GST Abl binding to the phospho-PDGF receptor intracellular domain


Bioorg Med Chem Lett 7: 1909-1914 (1997)


Article DOI: 10.1016/S0960-894X(97)00334-X
BindingDB Entry DOI: 10.7270/Q26110BP
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50291651
PNG
(4-[2-Acetylamino-3-(4-phosphonooxy-phenyl)-propion...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(O)=O)C(=O)NCCC1=CC=CC2CCCCC12 |c:34,t:32|
Show InChI InChI=1S/C28H38N3O9P/c1-18(32)30-25(17-19-9-11-22(12-10-19)40-41(37,38)39)28(36)31-24(13-14-26(33)34)27(35)29-16-15-21-7-4-6-20-5-2-3-8-23(20)21/h4,6-7,9-12,20,23-25H,2-3,5,8,13-17H2,1H3,(H,29,35)(H,30,32)(H,31,36)(H,33,34)(H2,37,38,39)/t20?,23?,24-,25-/m0/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-labeled phosphopeptide binding to a Src protein tryrosine kinase SH2 domain.


Bioorg Med Chem Lett 7: 1107-1112 (1997)


Article DOI: 10.1016/S0960-894X(97)00190-X
BindingDB Entry DOI: 10.7270/Q24F1QR8
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50289750
PNG
((S)-4-{(S)-2-Acetylamino-3-[4-(difluoro-phosphono-...)
Show SMILES CN(CCCC1CCCCC1)C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(C)=O
Show InChI InChI=1S/C27H40F2N3O8P/c1-18(33)30-23(17-20-10-12-21(13-11-20)27(28,29)41(38,39)40)25(36)31-22(14-15-24(34)35)26(37)32(2)16-6-9-19-7-4-3-5-8-19/h10-13,19,22-23H,3-9,14-17H2,1-2H3,(H,30,33)(H,31,36)(H,34,35)(H2,38,39,40)/t22-,23-/m0/s1
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n/an/a 3.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Radioligand displacement assay for the binding of [125I]-Glu-Pro-Gln-pTyr-Glu-Glu-Ile-Pro-Ile-Tyr-Leu to SRC SH2 domain


Bioorg Med Chem Lett 7: 1909-1914 (1997)


Article DOI: 10.1016/S0960-894X(97)00334-X
BindingDB Entry DOI: 10.7270/Q26110BP
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50287076
PNG
((S)-2-[(2S,3S)-2-(4-Carboxy-2-{4-carboxy-2-[3-(4-p...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C30H43N4O16P/c1-3-16(2)26(29(44)33-21(30(45)46)11-15-25(40)41)34-28(43)20(10-14-24(38)39)32-27(42)19(9-13-23(36)37)31-22(35)12-6-17-4-7-18(8-5-17)50-51(47,48)49/h4-5,7-8,16,19-21,26H,3,6,9-15H2,1-2H3,(H,31,35)(H,32,42)(H,33,44)(H,34,43)(H,36,37)(H,38,39)(H,40,41)(H,45,46)(H2,47,48,49)/t16-,19?,20?,21-,26-/m0/s1
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n/an/a 3.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to p60 src SH2 domain.


Bioorg Med Chem Lett 6: 1209-1214 (1996)


Article DOI: 10.1016/0960-894X(96)00208-9
BindingDB Entry DOI: 10.7270/Q26W9B2W
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50291645
PNG
(4-[2-Acetylamino-3-(4-phosphonooxy-phenyl)-propion...)
Show SMILES CN(CCCc1ccccc1)C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O
Show InChI InChI=1S/C26H34N3O9P/c1-18(30)27-23(17-20-10-12-21(13-11-20)38-39(35,36)37)25(33)28-22(14-15-24(31)32)26(34)29(2)16-6-9-19-7-4-3-5-8-19/h3-5,7-8,10-13,22-23H,6,9,14-17H2,1-2H3,(H,27,30)(H,28,33)(H,31,32)(H2,35,36,37)/t22-,23-/m0/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-labeled phosphopeptide binding to a Src protein tryrosine kinase SH2 domain.


Bioorg Med Chem Lett 7: 1107-1112 (1997)


Article DOI: 10.1016/S0960-894X(97)00190-X
BindingDB Entry DOI: 10.7270/Q24F1QR8
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50291650
PNG
(CHEMBL13424 | Dipeptide Ligand)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)NCCCc1ccccc1
Show InChI InChI=1S/C29H35N3O11P2/c1-20(33)31-27(19-23-11-15-25(16-12-23)43-45(39,40)41)29(35)32-26(18-22-9-13-24(14-10-22)42-44(36,37)38)28(34)30-17-5-8-21-6-3-2-4-7-21/h2-4,6-7,9-16,26-27H,5,8,17-19H2,1H3,(H,30,34)(H,31,33)(H,32,35)(H2,36,37,38)(H2,39,40,41)/t26-,27-/m0/s1
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n/an/a 3.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-labeled phosphopeptide binding to a Src protein tryrosine kinase SH2 domain.


Bioorg Med Chem Lett 7: 1107-1112 (1997)


Article DOI: 10.1016/S0960-894X(97)00190-X
BindingDB Entry DOI: 10.7270/Q24F1QR8
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50287074
PNG
(4-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)-pro...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)NC(CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C27H32N5O10P/c1-15(33)30-23(12-16-6-8-18(9-7-16)42-43(39,40)41)27(38)31-21(10-11-24(34)35)26(37)32-22(25(28)36)13-17-14-29-20-5-3-2-4-19(17)20/h2-9,14,21-23,29H,10-13H2,1H3,(H2,28,36)(H,30,33)(H,31,38)(H,32,37)(H,34,35)(H2,39,40,41)/t21?,22-,23-/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to p60 src SH2 domain.


Bioorg Med Chem Lett 6: 1209-1214 (1996)


Article DOI: 10.1016/0960-894X(96)00208-9
BindingDB Entry DOI: 10.7270/Q26W9B2W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50289743
PNG
((S)-4-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)...)
Show SMILES CN(CCCC1CCCCC1)C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O
Show InChI InChI=1S/C26H40N3O9P/c1-18(30)27-23(17-20-10-12-21(13-11-20)38-39(35,36)37)25(33)28-22(14-15-24(31)32)26(34)29(2)16-6-9-19-7-4-3-5-8-19/h10-13,19,22-23H,3-9,14-17H2,1-2H3,(H,27,30)(H,28,33)(H,31,32)(H2,35,36,37)/t22-,23-/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Radioligand displacement assay for the binding of [125I]-Glu-Pro-Gln-pTyr-Glu-Glu-Ile-Pro-Ile-Tyr-Leu to ABL SH2 domain


Bioorg Med Chem Lett 7: 1909-1914 (1997)


Article DOI: 10.1016/S0960-894X(97)00334-X
BindingDB Entry DOI: 10.7270/Q26110BP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50289746
PNG
(CHEMBL298813 | {[4-((S)-2-Acetylamino-2-{(S)-1-[(3...)
Show SMILES CC[C@H](NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(C)=O)C(=O)N(C)CCCC1CCCCC1
Show InChI InChI=1S/C26H40F2N3O6P/c1-4-22(25(34)31(3)16-8-11-19-9-6-5-7-10-19)30-24(33)23(29-18(2)32)17-20-12-14-21(15-13-20)26(27,28)38(35,36)37/h12-15,19,22-23H,4-11,16-17H2,1-3H3,(H,29,32)(H,30,33)(H2,35,36,37)/t22-,23-/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [35S]-labeled SH2-GST Abl binding to the phospho-PDGF receptor intracellular domain


Bioorg Med Chem Lett 7: 1909-1914 (1997)


Article DOI: 10.1016/S0960-894X(97)00334-X
BindingDB Entry DOI: 10.7270/Q26110BP
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50291641
PNG
(4-[{2-[2-Acetylamino-3-(4-phosphonooxy-phenyl)-pro...)
Show SMILES CCCC(NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)C(=O)N(CCCC(O)=O)CCCc1ccccc1
Show InChI InChI=1S/C29H40N3O9P/c1-3-9-25(29(37)32(19-8-13-27(34)35)18-7-12-22-10-5-4-6-11-22)31-28(36)26(30-21(2)33)20-23-14-16-24(17-15-23)41-42(38,39)40/h4-6,10-11,14-17,25-26H,3,7-9,12-13,18-20H2,1-2H3,(H,30,33)(H,31,36)(H,34,35)(H2,38,39,40)/t25?,26-/m0/s1
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n/an/a 4.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-labeled phosphopeptide binding to a Src protein tryrosine kinase SH2 domain.


Bioorg Med Chem Lett 7: 1107-1112 (1997)


Article DOI: 10.1016/S0960-894X(97)00190-X
BindingDB Entry DOI: 10.7270/Q24F1QR8
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50118657
PNG
(Ac-pYEEIE | CHEMBL2092742)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)C(Cc1ccc(OP(O)(O)=O)cc1)c1ccc2ccccc2c1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C40H49N4O16P/c1-3-22(2)35(39(54)43-31(40(55)56)16-19-34(49)50)44-38(53)30(15-18-33(47)48)42-37(52)29(14-17-32(45)46)41-36(51)28(26-11-10-24-6-4-5-7-25(24)21-26)20-23-8-12-27(13-9-23)60-61(57,58)59/h4-13,21-22,28-31,35H,3,14-20H2,1-2H3,(H,41,51)(H,42,52)(H,43,54)(H,44,53)(H,45,46)(H,47,48)(H,49,50)(H,55,56)(H2,57,58,59)/t22-,28?,29-,30-,31-,35-/m0/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to p60 src SH2 domain.


Bioorg Med Chem Lett 6: 1209-1214 (1996)


Article DOI: 10.1016/0960-894X(96)00208-9
BindingDB Entry DOI: 10.7270/Q26W9B2W
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50118657
PNG
(Ac-pYEEIE | CHEMBL2092742)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)C(Cc1ccc(OP(O)(O)=O)cc1)c1ccc2ccccc2c1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C40H49N4O16P/c1-3-22(2)35(39(54)43-31(40(55)56)16-19-34(49)50)44-38(53)30(15-18-33(47)48)42-37(52)29(14-17-32(45)46)41-36(51)28(26-11-10-24-6-4-5-7-25(24)21-26)20-23-8-12-27(13-9-23)60-61(57,58)59/h4-13,21-22,28-31,35H,3,14-20H2,1-2H3,(H,41,51)(H,42,52)(H,43,54)(H,44,53)(H,45,46)(H,47,48)(H,49,50)(H,55,56)(H2,57,58,59)/t22-,28?,29-,30-,31-,35-/m0/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to p60 src SH2 domain.


Bioorg Med Chem Lett 6: 1209-1214 (1996)


Article DOI: 10.1016/0960-894X(96)00208-9
BindingDB Entry DOI: 10.7270/Q26W9B2W
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50287077
PNG
((S)-2-[(2S,3S)-2-(4-Carboxy-2-{4-carboxy-2-[3-(2,6...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCc1c(C)cc(OP(O)(O)=O)cc1C)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C32H47N4O16P/c1-5-16(2)28(31(46)35-23(32(47)48)9-13-27(42)43)36-30(45)22(8-12-26(40)41)34-29(44)21(7-11-25(38)39)33-24(37)10-6-20-17(3)14-19(15-18(20)4)52-53(49,50)51/h14-16,21-23,28H,5-13H2,1-4H3,(H,33,37)(H,34,44)(H,35,46)(H,36,45)(H,38,39)(H,40,41)(H,42,43)(H,47,48)(H2,49,50,51)/t16-,21?,22?,23-,28-/m0/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to p60 src SH2 domain.


Bioorg Med Chem Lett 6: 1209-1214 (1996)


Article DOI: 10.1016/0960-894X(96)00208-9
BindingDB Entry DOI: 10.7270/Q26W9B2W
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50291642
PNG
(4-[2-Acetylamino-3-(4-phosphonooxy-phenyl)-propion...)
Show SMILES CCc1ccccc1CCNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O
Show InChI InChI=1S/C26H34N3O9P/c1-3-19-6-4-5-7-20(19)14-15-27-25(33)22(12-13-24(31)32)29-26(34)23(28-17(2)30)16-18-8-10-21(11-9-18)38-39(35,36)37/h4-11,22-23H,3,12-16H2,1-2H3,(H,27,33)(H,28,30)(H,29,34)(H,31,32)(H2,35,36,37)/t22-,23-/m0/s1
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n/an/a 4.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-labeled phosphopeptide binding to a Src protein tryrosine kinase SH2 domain.


Bioorg Med Chem Lett 7: 1107-1112 (1997)


Article DOI: 10.1016/S0960-894X(97)00190-X
BindingDB Entry DOI: 10.7270/Q24F1QR8
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50291653
PNG
(4-[2-Acetylamino-3-(4-phosphonooxy-phenyl)-propion...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(O)=O)C(=O)NCCc1cccc2ccccc12
Show InChI InChI=1S/C28H32N3O9P/c1-18(32)30-25(17-19-9-11-22(12-10-19)40-41(37,38)39)28(36)31-24(13-14-26(33)34)27(35)29-16-15-21-7-4-6-20-5-2-3-8-23(20)21/h2-12,24-25H,13-17H2,1H3,(H,29,35)(H,30,32)(H,31,36)(H,33,34)(H2,37,38,39)/t24-,25-/m0/s1
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n/an/a 4.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [125I]-labeled phosphopeptide binding to a Src protein tryrosine kinase SH2 domain.


Bioorg Med Chem Lett 7: 1107-1112 (1997)


Article DOI: 10.1016/S0960-894X(97)00190-X
BindingDB Entry DOI: 10.7270/Q24F1QR8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50289742
PNG
((S)-4-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC1CCCCC1)C(N)=O
Show InChI InChI=1S/C26H39N4O10P/c1-16(31)28-22(15-18-7-10-19(11-8-18)40-41(37,38)39)26(36)30-21(13-14-23(32)33)25(35)29-20(24(27)34)12-9-17-5-3-2-4-6-17/h7-8,10-11,17,20-22H,2-6,9,12-15H2,1H3,(H2,27,34)(H,28,31)(H,29,35)(H,30,36)(H,32,33)(H2,37,38,39)/t20-,21-,22-/m0/s1
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n/an/a 4.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Radioligand displacement assay for the binding of [125I]-Glu-Pro-Gln-pTyr-Glu-Glu-Ile-Pro-Ile-Tyr-Leu to ABL SH2 domain


Bioorg Med Chem Lett 7: 1909-1914 (1997)


Article DOI: 10.1016/S0960-894X(97)00334-X
BindingDB Entry DOI: 10.7270/Q26110BP
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50289747
PNG
((S)-4-{(S)-2-Acetylamino-3-[4-(difluoro-phosphono-...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC1CCCCC1)C(N)=O
Show InChI InChI=1S/C27H39F2N4O9P/c1-16(34)31-22(15-18-7-10-19(11-8-18)27(28,29)43(40,41)42)26(39)33-21(13-14-23(35)36)25(38)32-20(24(30)37)12-9-17-5-3-2-4-6-17/h7-8,10-11,17,20-22H,2-6,9,12-15H2,1H3,(H2,30,37)(H,31,34)(H,32,38)(H,33,39)(H,35,36)(H2,40,41,42)/t20-,21-,22-/m0/s1
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n/an/a 4.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Radioligand displacement assay for the binding of [125I]-Glu-Pro-Gln-pTyr-Glu-Glu-Ile-Pro-Ile-Tyr-Leu to SRC SH2 domain


Bioorg Med Chem Lett 7: 1909-1914 (1997)


Article DOI: 10.1016/S0960-894X(97)00334-X
BindingDB Entry DOI: 10.7270/Q26110BP
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50287078
PNG
((S)-2-[(2S,3S)-2-(4-Carboxy-2-{4-carboxy-2-[(Z)-2-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)C(=C\c1ccc(OP(O)(O)=O)cc1)\C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C31H41N4O18P/c1-3-15(2)25(29(45)34-21(31(48)49)10-13-24(40)41)35-28(44)20(9-12-23(38)39)33-27(43)19(8-11-22(36)37)32-26(42)18(30(46)47)14-16-4-6-17(7-5-16)53-54(50,51)52/h4-7,14-15,19-21,25H,3,8-13H2,1-2H3,(H,32,42)(H,33,43)(H,34,45)(H,35,44)(H,36,37)(H,38,39)(H,40,41)(H,46,47)(H,48,49)(H2,50,51,52)/b18-14-/t15-,19?,20?,21-,25-/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to p60 src SH2 domain.


Bioorg Med Chem Lett 6: 1209-1214 (1996)


Article DOI: 10.1016/0960-894X(96)00208-9
BindingDB Entry DOI: 10.7270/Q26W9B2W
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50289748
PNG
((S)-2-{(2S,3S)-2-[(S)-2-((S)-2-{(S)-2-Acetylamino-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C33H46F2N5O16P/c1-4-16(2)27(31(51)39-22(32(52)53)11-14-26(46)47)40-29(49)21(10-13-25(44)45)37-28(48)20(9-12-24(42)43)38-30(50)23(36-17(3)41)15-18-5-7-19(8-6-18)33(34,35)57(54,55)56/h5-8,16,20-23,27H,4,9-15H2,1-3H3,(H,36,41)(H,37,48)(H,38,50)(H,39,51)(H,40,49)(H,42,43)(H,44,45)(H,46,47)(H,52,53)(H2,54,55,56)/t16-,20-,21-,22-,23-,27-/m0/s1
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n/an/a 5.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [35S]-labeled SH2-GST Src binding to phospho-PDGF receptor intracellular domain


Bioorg Med Chem Lett 7: 1909-1914 (1997)


Article DOI: 10.1016/S0960-894X(97)00334-X
BindingDB Entry DOI: 10.7270/Q26110BP
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50287082
PNG
((S)-2-[(2S,3S)-2-(4-Carboxy-2-{4-carboxy-2-[(E)-3-...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)\C=C\c1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C30H41N4O16P/c1-3-16(2)26(29(44)33-21(30(45)46)11-15-25(40)41)34-28(43)20(10-14-24(38)39)32-27(42)19(9-13-23(36)37)31-22(35)12-6-17-4-7-18(8-5-17)50-51(47,48)49/h4-8,12,16,19-21,26H,3,9-11,13-15H2,1-2H3,(H,31,35)(H,32,42)(H,33,44)(H,34,43)(H,36,37)(H,38,39)(H,40,41)(H,45,46)(H2,47,48,49)/b12-6+/t16-,19?,20?,21-,26-/m0/s1
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n/an/a 5.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to p60 src SH2 domain.


Bioorg Med Chem Lett 6: 1209-1214 (1996)


Article DOI: 10.1016/0960-894X(96)00208-9
BindingDB Entry DOI: 10.7270/Q26W9B2W
More data for this
Ligand-Target Pair
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