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Compile Data Set for Download or QSAR

Found 112 hits with Last Name = 'broto' and Initial = 'p'   
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))
BDBM14691
PNG
(4-[(2S)-2-acetamido-2-{[(3S)-2-oxo-1-[(4-phenylphe...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)c(C=O)c1)C(=O)N[C@H]1CCCCN(Cc2ccc(cc2)-c2ccccc2)C1=O |r|
Show InChI InChI=1S/C31H34N3O8P/c1-21(36)32-28(18-23-12-15-29(26(17-23)20-35)42-43(39,40)41)30(37)33-27-9-5-6-16-34(31(27)38)19-22-10-13-25(14-11-22)24-7-3-2-4-8-24/h2-4,7-8,10-15,17,20,27-28H,5-6,9,16,18-19H2,1H3,(H,32,36)(H,33,37)(H2,39,40,41)/t27-,28-/m0/s1
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n/an/a 0.25n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity for Src SH2 domain in scintillation proximity binding assay (SPA)


J Med Chem 45: 2379-87 (2002)


BindingDB Entry DOI: 10.7270/Q21J992G
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src [145-252]


(Homo sapiens (Human))
BDBM14691
PNG
(4-[(2S)-2-acetamido-2-{[(3S)-2-oxo-1-[(4-phenylphe...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)c(C=O)c1)C(=O)N[C@H]1CCCCN(Cc2ccc(cc2)-c2ccccc2)C1=O |r|
Show InChI InChI=1S/C31H34N3O8P/c1-21(36)32-28(18-23-12-15-29(26(17-23)20-35)42-43(39,40)41)30(37)33-27-9-5-6-16-34(31(27)38)19-22-10-13-25(14-11-22)24-7-3-2-4-8-24/h2-4,7-8,10-15,17,20,27-28H,5-6,9,16,18-19H2,1H3,(H,32,36)(H,33,37)(H2,39,40,41)/t27-,28-/m0/s1
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n/an/a 0.25n/an/an/an/an/an/a



Aventis Pharma



Assay Description
SPA uses 125I as energy donor and scintillant-coated beads as energy acceptor. The labeled ligand is captured by the biotinylated Src-SH2 protein imm...


J Med Chem 46: 5184-95 (2003)


Article DOI: 10.1021/jm020970s
BindingDB Entry DOI: 10.7270/Q2XW4H14
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM14691
PNG
(4-[(2S)-2-acetamido-2-{[(3S)-2-oxo-1-[(4-phenylphe...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)c(C=O)c1)C(=O)N[C@H]1CCCCN(Cc2ccc(cc2)-c2ccccc2)C1=O |r|
Show InChI InChI=1S/C31H34N3O8P/c1-21(36)32-28(18-23-12-15-29(26(17-23)20-35)42-43(39,40)41)30(37)33-27-9-5-6-16-34(31(27)38)19-22-10-13-25(14-11-22)24-7-3-2-4-8-24/h2-4,7-8,10-15,17,20,27-28H,5-6,9,16,18-19H2,1H3,(H,32,36)(H,33,37)(H2,39,40,41)/t27-,28-/m0/s1
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n/an/a 0.25n/an/an/an/an/an/a



Aventis Pharma

Curated by ChEMBL


Assay Description
Inhibitory concentration against SH2 domain of human p60 Src tyrosine kinase


J Med Chem 45: 2915-22 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1MNM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50080177
PNG
((S)-4-{(S)-2-[(S)-2-Acetylamino-3-(4-phosphonooxy-...)
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(N)=O
Show InChI InChI=1S/C27H40N5O13P/c1-4-14(2)23(24(28)38)32-26(40)19(10-12-22(36)37)30-25(39)18(9-11-21(34)35)31-27(41)20(29-15(3)33)13-16-5-7-17(8-6-16)45-46(42,43)44/h5-8,14,18-20,23H,4,9-13H2,1-3H3,(H2,28,38)(H,29,33)(H,30,39)(H,31,41)(H,32,40)(H,34,35)(H,36,37)(H2,42,43,44)/t14-,18-,19-,20-,23-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity for Src protein tryrosine kinase SH2 domain using surface plasmon resonance (SPR) assay


J Med Chem 45: 2379-87 (2002)


BindingDB Entry DOI: 10.7270/Q21J992G
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50080177
PNG
((S)-4-{(S)-2-[(S)-2-Acetylamino-3-(4-phosphonooxy-...)
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(N)=O
Show InChI InChI=1S/C27H40N5O13P/c1-4-14(2)23(24(28)38)32-26(40)19(10-12-22(36)37)30-25(39)18(9-11-21(34)35)31-27(41)20(29-15(3)33)13-16-5-7-17(8-6-16)45-46(42,43)44/h5-8,14,18-20,23H,4,9-13H2,1-3H3,(H2,28,38)(H,29,33)(H,30,39)(H,31,41)(H,32,40)(H,34,35)(H,36,37)(H2,42,43,44)/t14-,18-,19-,20-,23-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity for Src protein tryrosine kinase SH2 domain using surface plasmon resonance (SPR) assay


J Med Chem 45: 2379-87 (2002)


BindingDB Entry DOI: 10.7270/Q21J992G
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src [145-252]


(Homo sapiens (Human))
BDBM14690
PNG
(2-{2-carboxy-4-[(2S)-2-acetamido-2-{[(3S)-2-oxo-1-...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(C(C(O)=O)C(O)=O)c(c1)C(O)=O)C(=O)N[C@H]1CCCCN(Cc2ccc(cc2)-c2ccccc2)C1=O |r|
Show InChI InChI=1S/C34H35N3O9/c1-20(38)35-28(18-22-12-15-25(26(17-22)32(41)42)29(33(43)44)34(45)46)30(39)36-27-9-5-6-16-37(31(27)40)19-21-10-13-24(14-11-21)23-7-3-2-4-8-23/h2-4,7-8,10-15,17,27-29H,5-6,9,16,18-19H2,1H3,(H,35,38)(H,36,39)(H,41,42)(H,43,44)(H,45,46)/t27-,28-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Aventis Pharma



Assay Description
SPA uses 125I as energy donor and scintillant-coated beads as energy acceptor. The labeled ligand is captured by the biotinylated Src-SH2 protein imm...


J Med Chem 46: 5184-95 (2003)


Article DOI: 10.1021/jm020970s
BindingDB Entry DOI: 10.7270/Q2XW4H14
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM14690
PNG
(2-{2-carboxy-4-[(2S)-2-acetamido-2-{[(3S)-2-oxo-1-...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(C(C(O)=O)C(O)=O)c(c1)C(O)=O)C(=O)N[C@H]1CCCCN(Cc2ccc(cc2)-c2ccccc2)C1=O |r|
Show InChI InChI=1S/C34H35N3O9/c1-20(38)35-28(18-22-12-15-25(26(17-22)32(41)42)29(33(43)44)34(45)46)30(39)36-27-9-5-6-16-37(31(27)40)19-21-10-13-24(14-11-21)23-7-3-2-4-8-23/h2-4,7-8,10-15,17,27-29H,5-6,9,16,18-19H2,1H3,(H,35,38)(H,36,39)(H,41,42)(H,43,44)(H,45,46)/t27-,28-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Aventis Pharma

Curated by ChEMBL


Assay Description
Inhibitory concentration against SH2 domain of human p60 Src tyrosine kinase


J Med Chem 45: 2915-22 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1MNM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src [145-252]


(Homo sapiens (Human))
BDBM14693
PNG
(({4-[(2S)-2-acetamido-2-{[(3S)-2-oxo-1-[(4-phenylp...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(=O)N[C@H]1CCCCN(Cc2ccc(cc2)-c2ccccc2)C1=O |r|
Show InChI InChI=1S/C31H34F2N3O6P/c1-21(37)34-28(19-22-12-16-26(17-13-22)31(32,33)43(40,41)42)29(38)35-27-9-5-6-18-36(30(27)39)20-23-10-14-25(15-11-23)24-7-3-2-4-8-24/h2-4,7-8,10-17,27-28H,5-6,9,18-20H2,1H3,(H,34,37)(H,35,38)(H2,40,41,42)/t27-,28-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Aventis Pharma



Assay Description
SPA uses 125I as energy donor and scintillant-coated beads as energy acceptor. The labeled ligand is captured by the biotinylated Src-SH2 protein imm...


J Med Chem 46: 5184-95 (2003)


Article DOI: 10.1021/jm020970s
BindingDB Entry DOI: 10.7270/Q2XW4H14
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM14690
PNG
(2-{2-carboxy-4-[(2S)-2-acetamido-2-{[(3S)-2-oxo-1-...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(C(C(O)=O)C(O)=O)c(c1)C(O)=O)C(=O)N[C@H]1CCCCN(Cc2ccc(cc2)-c2ccccc2)C1=O |r|
Show InChI InChI=1S/C34H35N3O9/c1-20(38)35-28(18-22-12-15-25(26(17-22)32(41)42)29(33(43)44)34(45)46)30(39)36-27-9-5-6-16-37(31(27)40)19-21-10-13-24(14-11-21)23-7-3-2-4-8-23/h2-4,7-8,10-15,17,27-29H,5-6,9,16,18-19H2,1H3,(H,35,38)(H,36,39)(H,41,42)(H,43,44)(H,45,46)/t27-,28-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity towards Src protein tryrosine kinase SH2 domain using scintillation proximity binding assay (SPA)


J Med Chem 45: 2379-87 (2002)


BindingDB Entry DOI: 10.7270/Q21J992G
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM14693
PNG
(({4-[(2S)-2-acetamido-2-{[(3S)-2-oxo-1-[(4-phenylp...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(=O)N[C@H]1CCCCN(Cc2ccc(cc2)-c2ccccc2)C1=O |r|
Show InChI InChI=1S/C31H34F2N3O6P/c1-21(37)34-28(19-22-12-16-26(17-13-22)31(32,33)43(40,41)42)29(38)35-27-9-5-6-18-36(30(27)39)20-23-10-14-25(15-11-23)24-7-3-2-4-8-24/h2-4,7-8,10-17,27-28H,5-6,9,18-20H2,1H3,(H,34,37)(H,35,38)(H2,40,41,42)/t27-,28-/m0/s1
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Aventis Pharma

Curated by ChEMBL


Assay Description
Inhibitory concentration against SH2 domain of human p60 Src tyrosine kinase


J Med Chem 45: 2915-22 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1MNM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50113760
PNG
(2-{4-[2-Acetylamino-2-(1-biphenyl-4-ylmethyl-2-oxo...)
Show SMILES COC(=O)c1cc(C[C@@H](NC(C)=O)C(=O)N[C@H]2CCCCN(Cc3ccc(cc3)-c3ccccc3)C2=O)ccc1C(C(O)=O)C(O)=O
Show InChI InChI=1S/C35H37N3O9/c1-21(39)36-29(19-23-13-16-26(27(18-23)35(46)47-2)30(33(42)43)34(44)45)31(40)37-28-10-6-7-17-38(32(28)41)20-22-11-14-25(15-12-22)24-8-4-3-5-9-24/h3-5,8-9,11-16,18,28-30H,6-7,10,17,19-20H2,1-2H3,(H,36,39)(H,37,40)(H,42,43)(H,44,45)/t28-,29+/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity towards Src protein tryrosine kinase SH2 domain using surface plasmon resonance (SPR) assay


J Med Chem 45: 2379-87 (2002)


BindingDB Entry DOI: 10.7270/Q21J992G
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM14689
PNG
(4-[(2S)-2-acetamido-2-{[(3S)-2-oxo-1-[(4-phenylphe...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@H]1CCCCN(Cc2ccc(cc2)-c2ccccc2)C1=O |r|
Show InChI InChI=1S/C30H34N3O7P/c1-21(34)31-28(19-22-12-16-26(17-13-22)40-41(37,38)39)29(35)32-27-9-5-6-18-33(30(27)36)20-23-10-14-25(15-11-23)24-7-3-2-4-8-24/h2-4,7-8,10-17,27-28H,5-6,9,18-20H2,1H3,(H,31,34)(H,32,35)(H2,37,38,39)/t27-,28-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Aventis Pharma

Curated by ChEMBL


Assay Description
Inhibitory concentration against SH2 domain of human p60 Src tyrosine kinase


J Med Chem 45: 2915-22 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1MNM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50074242
PNG
((2S,3S)-2-((S)-2-{(S)-2-[(S)-2-Acetylamino-3-(4-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)=O
Show InChI InChI=1S/C27H39N4O14P/c1-4-14(2)23(27(40)41)31-25(38)19(10-12-22(35)36)29-24(37)18(9-11-21(33)34)30-26(39)20(28-15(3)32)13-16-5-7-17(8-6-16)45-46(42,43)44/h5-8,14,18-20,23H,4,9-13H2,1-3H3,(H,28,32)(H,29,37)(H,30,39)(H,31,38)(H,33,34)(H,35,36)(H,40,41)(H2,42,43,44)/t14-,18-,19-,20-,23-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity for Src SH2 domain in scintillation proximity binding assay (SPA)


J Med Chem 45: 2379-87 (2002)


BindingDB Entry DOI: 10.7270/Q21J992G
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src [145-252]


(Homo sapiens (Human))
BDBM14689
PNG
(4-[(2S)-2-acetamido-2-{[(3S)-2-oxo-1-[(4-phenylphe...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@H]1CCCCN(Cc2ccc(cc2)-c2ccccc2)C1=O |r|
Show InChI InChI=1S/C30H34N3O7P/c1-21(34)31-28(19-22-12-16-26(17-13-22)40-41(37,38)39)29(35)32-27-9-5-6-18-33(30(27)36)20-23-10-14-25(15-11-23)24-7-3-2-4-8-24/h2-4,7-8,10-17,27-28H,5-6,9,18-20H2,1H3,(H,31,34)(H,32,35)(H2,37,38,39)/t27-,28-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Aventis Pharma



Assay Description
SPA uses 125I as energy donor and scintillant-coated beads as energy acceptor. The labeled ligand is captured by the biotinylated Src-SH2 protein imm...


J Med Chem 46: 5184-95 (2003)


Article DOI: 10.1021/jm020970s
BindingDB Entry DOI: 10.7270/Q2XW4H14
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src [145-252]


(Homo sapiens (Human))
BDBM14692
PNG
(2-{4-[(2S)-2-acetamido-2-{[(3S)-2-oxo-1-[(4-phenyl...)
Show SMILES COC(=O)c1cc(C[C@H](NC(C)=O)C(=O)N[C@H]2CCCCN(Cc3ccc(cc3)-c3ccccc3)C2=O)ccc1C(F)(C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C35H36FN3O9/c1-21(40)37-29(19-23-13-16-27(26(18-23)32(43)48-2)35(36,33(44)45)34(46)47)30(41)38-28-10-6-7-17-39(31(28)42)20-22-11-14-25(15-12-22)24-8-4-3-5-9-24/h3-5,8-9,11-16,18,28-29H,6-7,10,17,19-20H2,1-2H3,(H,37,40)(H,38,41)(H,44,45)(H,46,47)/t28-,29-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Aventis Pharma



Assay Description
SPA uses 125I as energy donor and scintillant-coated beads as energy acceptor. The labeled ligand is captured by the biotinylated Src-SH2 protein imm...


J Med Chem 46: 5184-95 (2003)


Article DOI: 10.1021/jm020970s
BindingDB Entry DOI: 10.7270/Q2XW4H14
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50103063
PNG
(CHEMBL24482 | Phosphoric acid mono-{4-[(S)-2-acety...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@H]1CSCCN(Cc2ccc(cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C29H32N3O7PS/c1-20(33)30-26(17-21-9-13-25(14-10-21)39-40(36,37)38)28(34)31-27-19-41-16-15-32(29(27)35)18-22-7-11-24(12-8-22)23-5-3-2-4-6-23/h2-14,26-27H,15-19H2,1H3,(H,30,33)(H,31,34)(H2,36,37,38)/t26-,27-/m0/s1
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n/an/a 90n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution


Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src [145-252]


(Homo sapiens (Human))
BDBM14696
PNG
(4-[(2S)-2-(acetylamino)-3-{[(3S)-1-(biphenyl-4-ylm...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(C(O)=O)c(C=O)c1)C(=O)N[C@H]1CCCCN(Cc2ccc(cc2)-c2ccccc2)C1=O |r|
Show InChI InChI=1S/C32H33N3O6/c1-21(37)33-29(18-23-12-15-27(32(40)41)26(17-23)20-36)30(38)34-28-9-5-6-16-35(31(28)39)19-22-10-13-25(14-11-22)24-7-3-2-4-8-24/h2-4,7-8,10-15,17,20,28-29H,5-6,9,16,18-19H2,1H3,(H,33,37)(H,34,38)(H,40,41)/t28-,29-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Aventis Pharma



Assay Description
SPA uses 125I as energy donor and scintillant-coated beads as energy acceptor. The labeled ligand is captured by the biotinylated Src-SH2 protein imm...


J Med Chem 46: 5184-95 (2003)


Article DOI: 10.1021/jm020970s
BindingDB Entry DOI: 10.7270/Q2XW4H14
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50103045
PNG
(3-{(R)-6-[(S)-2-Acetylamino-3-(4-phosphonooxy-phen...)
Show SMILES COC(=O)c1cccc(CN2CCSC[C@H](NC(=O)[C@H](Cc3ccc(OP(O)(O)=O)cc3)NC(C)=O)C2=O)c1
Show InChI InChI=1S/C25H30N3O9PS/c1-16(29)26-21(13-17-6-8-20(9-7-17)37-38(33,34)35)23(30)27-22-15-39-11-10-28(24(22)31)14-18-4-3-5-19(12-18)25(32)36-2/h3-9,12,21-22H,10-11,13-15H2,1-2H3,(H,26,29)(H,27,30)(H2,33,34,35)/t21-,22-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution


Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50112411
PNG
(CHEMBL444037 | Phosphoric acid mono-(4-{2-acetylam...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@H]1CCCCN(Cc2ccc(cc2)-c2cccc3ccccc23)C1=O
Show InChI InChI=1S/C34H36N3O7P/c1-23(38)35-32(21-24-14-18-28(19-15-24)44-45(41,42)43)33(39)36-31-11-4-5-20-37(34(31)40)22-25-12-16-27(17-13-25)30-10-6-8-26-7-2-3-9-29(26)30/h2-3,6-10,12-19,31-32H,4-5,11,20-22H2,1H3,(H,35,38)(H,36,39)(H2,41,42,43)/t31-,32-/m0/s1
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n/an/a 143n/an/an/an/an/an/a



Aventis Pharma

Curated by ChEMBL


Assay Description
Inhibitory concentration against SH2 domain of human p60 Src tyrosine kinase


J Med Chem 45: 2915-22 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1MNM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50101077
PNG
((1S,4S)-2-((S)-2-{(S)-2-[2-Amino-3-(4-phosphonooxy...)
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](N)Cc1ccc(OP(O)(O)=O)cc1)C(O)=O
Show InChI InChI=1S/C25H37N4O13P/c1-3-13(2)21(25(37)38)29-24(36)18(9-11-20(32)33)28-23(35)17(8-10-19(30)31)27-22(34)16(26)12-14-4-6-15(7-5-14)42-43(39,40)41/h4-7,13,16-18,21H,3,8-12,26H2,1-2H3,(H,27,34)(H,28,35)(H,29,36)(H,30,31)(H,32,33)(H,37,38)(H2,39,40,41)/t13-,16-,17-,18-,21-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution


Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50112421
PNG
(CHEMBL286258 | Phosphoric acid mono-(4-{2-acetylam...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@H]1CCCCN(CCCc2ccccc2)C1=O
Show InChI InChI=1S/C26H34N3O7P/c1-19(30)27-24(18-21-12-14-22(15-13-21)36-37(33,34)35)25(31)28-23-11-5-6-16-29(26(23)32)17-7-10-20-8-3-2-4-9-20/h2-4,8-9,12-15,23-24H,5-7,10-11,16-18H2,1H3,(H,27,30)(H,28,31)(H2,33,34,35)/t23-,24-/m0/s1
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n/an/a 290n/an/an/an/an/an/a



Aventis Pharma

Curated by ChEMBL


Assay Description
Inhibitory concentration against SH2 domain of human p60 Src tyrosine kinase


J Med Chem 45: 2915-22 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1MNM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50103062
PNG
(CHEMBL304304 | Phosphoric acid mono-(4-{(S)-2-acet...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@H]1CSCCN(Cc2cccc(c2)-c2ccccc2C#N)C1=O
Show InChI InChI=1S/C30H31N4O7PS/c1-20(35)32-27(16-21-9-11-25(12-10-21)41-42(38,39)40)29(36)33-28-19-43-14-13-34(30(28)37)18-22-5-4-7-23(15-22)26-8-3-2-6-24(26)17-31/h2-12,15,27-28H,13-14,16,18-19H2,1H3,(H,32,35)(H,33,36)(H2,38,39,40)/t27-,28-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution


Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50115116
PNG
([(4-{2-Acetylamino-2-[1-(3-cyclohexyl-propyl)-2-ox...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)P([O-])([O-])=O)C(=O)N[C@H]1CCCCN(CCCC2CCCCC2)C1=O
Show InChI InChI=1S/C27H40F2N3O6P/c1-19(33)30-24(18-21-12-14-22(15-13-21)27(28,29)39(36,37)38)25(34)31-23-11-5-6-16-32(26(23)35)17-7-10-20-8-3-2-4-9-20/h12-15,20,23-24H,2-11,16-18H2,1H3,(H,30,33)(H,31,34)(H2,36,37,38)/p-2/t23-,24-/m0/s1
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Aventis Pharma

Curated by ChEMBL


Assay Description
Inhibitory concentration against SH2 domain of human p60 Src tyrosine kinase


J Med Chem 45: 2915-22 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1MNM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50103065
PNG
(CHEMBL307344 | Phosphoric acid mono-(4-{(S)-2-acet...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@H]1CSCCN(Cc2cccc(OC(F)(F)F)c2)C1=O
Show InChI InChI=1S/C24H27F3N3O8PS/c1-15(31)28-20(12-16-5-7-18(8-6-16)38-39(34,35)36)22(32)29-21-14-40-10-9-30(23(21)33)13-17-3-2-4-19(11-17)37-24(25,26)27/h2-8,11,20-21H,9-10,12-14H2,1H3,(H,28,31)(H,29,32)(H2,34,35,36)/t20-,21-/m0/s1
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n/an/a 400n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution


Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src [145-252]


(Homo sapiens (Human))
BDBM14695
PNG
(2-{4-[(2S)-2-acetamido-2-{[(3S)-2-oxo-1-[(4-phenyl...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OCC(O)=O)c(c1)P(O)(O)=O)C(=O)N[C@H]1CCCCN(Cc2ccc(cc2)-c2ccccc2)C1=O |r|
Show InChI InChI=1S/C32H36N3O9P/c1-21(36)33-27(17-23-12-15-28(44-20-30(37)38)29(18-23)45(41,42)43)31(39)34-26-9-5-6-16-35(32(26)40)19-22-10-13-25(14-11-22)24-7-3-2-4-8-24/h2-4,7-8,10-15,18,26-27H,5-6,9,16-17,19-20H2,1H3,(H,33,36)(H,34,39)(H,37,38)(H2,41,42,43)/t26-,27-/m0/s1
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n/an/a 437n/an/an/an/an/an/a



Aventis Pharma



Assay Description
SPA uses 125I as energy donor and scintillant-coated beads as energy acceptor. The labeled ligand is captured by the biotinylated Src-SH2 protein imm...


J Med Chem 46: 5184-95 (2003)


Article DOI: 10.1021/jm020970s
BindingDB Entry DOI: 10.7270/Q2XW4H14
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src [145-252]


(Homo sapiens (Human))
BDBM14694
PNG
(2-(carboxymethyl)-5-[(2S)-2-acetamido-2-{[(3S)-2-o...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(CC(O)=O)c(c1)C(O)=O)C(=O)N[C@H]1CCCCN(Cc2ccc(cc2)-c2ccccc2)C1=O |r|
Show InChI InChI=1S/C33H35N3O7/c1-21(37)34-29(18-23-12-15-26(19-30(38)39)27(17-23)33(42)43)31(40)35-28-9-5-6-16-36(32(28)41)20-22-10-13-25(14-11-22)24-7-3-2-4-8-24/h2-4,7-8,10-15,17,28-29H,5-6,9,16,18-20H2,1H3,(H,34,37)(H,35,40)(H,38,39)(H,42,43)/t28-,29-/m0/s1
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n/an/a 450n/an/an/an/an/an/a



Aventis Pharma



Assay Description
SPA uses 125I as energy donor and scintillant-coated beads as energy acceptor. The labeled ligand is captured by the biotinylated Src-SH2 protein imm...


J Med Chem 46: 5184-95 (2003)


Article DOI: 10.1021/jm020970s
BindingDB Entry DOI: 10.7270/Q2XW4H14
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM14694
PNG
(2-(carboxymethyl)-5-[(2S)-2-acetamido-2-{[(3S)-2-o...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(CC(O)=O)c(c1)C(O)=O)C(=O)N[C@H]1CCCCN(Cc2ccc(cc2)-c2ccccc2)C1=O |r|
Show InChI InChI=1S/C33H35N3O7/c1-21(37)34-29(18-23-12-15-26(19-30(38)39)27(17-23)33(42)43)31(40)35-28-9-5-6-16-36(32(28)41)20-22-10-13-25(14-11-22)24-7-3-2-4-8-24/h2-4,7-8,10-15,17,28-29H,5-6,9,16,18-20H2,1H3,(H,34,37)(H,35,40)(H,38,39)(H,42,43)/t28-,29-/m0/s1
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n/an/a 450n/an/an/an/an/an/a



Aventis Pharma

Curated by ChEMBL


Assay Description
Inhibitory concentration against SH2 domain of human p60 Src tyrosine kinase


J Med Chem 45: 2915-22 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1MNM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM14694
PNG
(2-(carboxymethyl)-5-[(2S)-2-acetamido-2-{[(3S)-2-o...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(CC(O)=O)c(c1)C(O)=O)C(=O)N[C@H]1CCCCN(Cc2ccc(cc2)-c2ccccc2)C1=O |r|
Show InChI InChI=1S/C33H35N3O7/c1-21(37)34-29(18-23-12-15-26(19-30(38)39)27(17-23)33(42)43)31(40)35-28-9-5-6-16-36(32(28)41)20-22-10-13-25(14-11-22)24-7-3-2-4-8-24/h2-4,7-8,10-15,17,28-29H,5-6,9,16,18-20H2,1H3,(H,34,37)(H,35,40)(H,38,39)(H,42,43)/t28-,29-/m0/s1
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n/an/a 450n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity towards Src protein tryrosine kinase SH2 domain using surface plasmon resonance (SPR) assay


J Med Chem 45: 2379-87 (2002)


BindingDB Entry DOI: 10.7270/Q21J992G
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50113764
PNG
(2-{4-[2-Acetylamino-2-(1-biphenyl-4-ylmethyl-2-oxo...)
Show SMILES COC(=O)c1cc(C[C@H](NC(C)=O)C(=O)N[C@H]2CCCCN(Cc3ccc(cc3)-c3ccccc3)C2=O)ccc1C(C(O)=O)C(O)=O
Show InChI InChI=1S/C35H37N3O9/c1-21(39)36-29(19-23-13-16-26(27(18-23)35(46)47-2)30(33(42)43)34(44)45)31(40)37-28-10-6-7-17-38(32(28)41)20-22-11-14-25(15-12-22)24-8-4-3-5-9-24/h3-5,8-9,11-16,18,28-30H,6-7,10,17,19-20H2,1-2H3,(H,36,39)(H,37,40)(H,42,43)(H,44,45)/t28-,29-/m0/s1
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n/an/a 556n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity towards Src protein tryrosine kinase SH2 domain using surface plasmon resonance (SPR) assay


J Med Chem 45: 2379-87 (2002)


BindingDB Entry DOI: 10.7270/Q21J992G
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50103048
PNG
(CHEMBL67529 | [(S)-1-[5-(3-Cyclohexyl-propyl)-4-ox...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)NC1CSc2ccccc2N(CCCC2CCCCC2)C1=O
Show InChI InChI=1S/C32H44N3O8PS/c1-32(2,3)42-31(38)34-25(20-23-15-17-24(18-16-23)43-44(39,40)41)29(36)33-26-21-45-28-14-8-7-13-27(28)35(30(26)37)19-9-12-22-10-5-4-6-11-22/h7-8,13-18,22,25-26H,4-6,9-12,19-21H2,1-3H3,(H,33,36)(H,34,38)(H2,39,40,41)/t25-,26?/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity for Src protein tyrosine kinase SH2 domain


Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50103051
PNG
(CHEMBL66294 | Phosphoric acid mono-(4-{(S)-2-acety...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@H]1CSCCN(Cc2ccc3OCOc3c2Cl)C1=O
Show InChI InChI=1S/C24H27ClN3O9PS/c1-14(29)26-18(10-15-2-5-17(6-3-15)37-38(32,33)34)23(30)27-19-12-39-9-8-28(24(19)31)11-16-4-7-20-22(21(16)25)36-13-35-20/h2-7,18-19H,8-13H2,1H3,(H,26,29)(H,27,30)(H2,32,33,34)/t18-,19-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution


Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50103053
PNG
(CHEMBL68300 | [(S)-1-[4-(3-Cyclohexyl-propyl)-5-ox...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)NC1CSCCN(CCCC2CCCCC2)C1=O
Show InChI InChI=1S/C28H44N3O8PS/c1-28(2,3)38-27(34)30-23(18-21-11-13-22(14-12-21)39-40(35,36)37)25(32)29-24-19-41-17-16-31(26(24)33)15-7-10-20-8-5-4-6-9-20/h11-14,20,23-24H,4-10,15-19H2,1-3H3,(H,29,32)(H,30,34)(H2,35,36,37)/t23-,24?/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution


Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50103066
PNG
(CHEMBL66171 | Phosphoric acid mono-(4-{(S)-2-acety...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@H]1CSCCN(Cc2cccc(c2)C(=O)c2ccccc2)C1=O
Show InChI InChI=1S/C30H32N3O8PS/c1-20(34)31-26(17-21-10-12-25(13-11-21)41-42(38,39)40)29(36)32-27-19-43-15-14-33(30(27)37)18-22-6-5-9-24(16-22)28(35)23-7-3-2-4-8-23/h2-13,16,26-27H,14-15,17-19H2,1H3,(H,31,34)(H,32,36)(H2,38,39,40)/t26-,27-/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution


Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50103043
PNG
(CHEMBL69373 | Phosphoric acid mono-(4-{(S)-2-acety...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@H]1CSCCN(Cc2cccc(c2)C(F)(F)F)C1=O
Show InChI InChI=1S/C24H27F3N3O7PS/c1-15(31)28-20(12-16-5-7-19(8-6-16)37-38(34,35)36)22(32)29-21-14-39-10-9-30(23(21)33)13-17-3-2-4-18(11-17)24(25,26)27/h2-8,11,20-21H,9-10,12-14H2,1H3,(H,28,31)(H,29,32)(H2,34,35,36)/t20-,21-/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution


Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM14697
PNG
(4-[(2S)-2-acetamido-2-{[(3S)-2-oxo-1-[(4-phenylphe...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(c(c1)P(O)(O)=O)P(O)(O)=O)C(=O)N[C@H]1CCCCN(Cc2ccc(cc2)-c2ccccc2)C1=O |r|
Show InChI InChI=1S/C30H35N3O9P2/c1-20(34)31-26(17-22-12-15-27(43(37,38)39)28(18-22)44(40,41)42)29(35)32-25-9-5-6-16-33(30(25)36)19-21-10-13-24(14-11-21)23-7-3-2-4-8-23/h2-4,7-8,10-15,18,25-26H,5-6,9,16-17,19H2,1H3,(H,31,34)(H,32,35)(H2,37,38,39)(H2,40,41,42)/t25-,26-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Aventis Pharma

Curated by ChEMBL


Assay Description
Inhibitory concentration against SH2 domain of human p60 Src tyrosine kinase


J Med Chem 45: 2915-22 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1MNM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src [145-252]


(Homo sapiens (Human))
BDBM14697
PNG
(4-[(2S)-2-acetamido-2-{[(3S)-2-oxo-1-[(4-phenylphe...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(c(c1)P(O)(O)=O)P(O)(O)=O)C(=O)N[C@H]1CCCCN(Cc2ccc(cc2)-c2ccccc2)C1=O |r|
Show InChI InChI=1S/C30H35N3O9P2/c1-20(34)31-26(17-22-12-15-27(43(37,38)39)28(18-22)44(40,41)42)29(35)32-25-9-5-6-16-33(30(25)36)19-21-10-13-24(14-11-21)23-7-3-2-4-8-23/h2-4,7-8,10-15,18,25-26H,5-6,9,16-17,19H2,1H3,(H,31,34)(H,32,35)(H2,37,38,39)(H2,40,41,42)/t25-,26-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Aventis Pharma



Assay Description
SPA uses 125I as energy donor and scintillant-coated beads as energy acceptor. The labeled ligand is captured by the biotinylated Src-SH2 protein imm...


J Med Chem 46: 5184-95 (2003)


Article DOI: 10.1021/jm020970s
BindingDB Entry DOI: 10.7270/Q2XW4H14
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src [145-252]


(Homo sapiens (Human))
BDBM14698
PNG
(2-{4-[(1Z)-2-acetamido-2-{[(3S)-2-oxo-1-[(4-phenyl...)
Show SMILES CC(=O)N\C(=C/c1ccc(CC(O)=O)c(C=O)c1)C(=O)N[C@H]1CCCCN(Cc2ccc(cc2)-c2ccccc2)C1=O |r|
Show InChI InChI=1S/C33H33N3O6/c1-22(38)34-30(18-24-12-15-27(19-31(39)40)28(17-24)21-37)32(41)35-29-9-5-6-16-36(33(29)42)20-23-10-13-26(14-11-23)25-7-3-2-4-8-25/h2-4,7-8,10-15,17-18,21,29H,5-6,9,16,19-20H2,1H3,(H,34,38)(H,35,41)(H,39,40)/b30-18-/t29-/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Aventis Pharma



Assay Description
SPA uses 125I as energy donor and scintillant-coated beads as energy acceptor. The labeled ligand is captured by the biotinylated Src-SH2 protein imm...


J Med Chem 46: 5184-95 (2003)


Article DOI: 10.1021/jm020970s
BindingDB Entry DOI: 10.7270/Q2XW4H14
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50115117
PNG
(Phosphoric acid mono-{4-[1-(4-tert-butyl-benzyl)-2...)
Show SMILES CC(C)(C)c1ccc(CN2CCCC[C@H](NC(=O)c3ccc(OP([O-])([O-])=O)cc3)C2=O)cc1
Show InChI InChI=1S/C24H31N2O6P/c1-24(2,3)19-11-7-17(8-12-19)16-26-15-5-4-6-21(23(26)28)25-22(27)18-9-13-20(14-10-18)32-33(29,30)31/h7-14,21H,4-6,15-16H2,1-3H3,(H,25,27)(H2,29,30,31)/p-2/t21-/m0/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



Aventis Pharma

Curated by ChEMBL


Assay Description
Inhibitory concentration against SH2 domain of human p60 Src tyrosine kinase


J Med Chem 45: 2915-22 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1MNM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50115119
PNG
(Phosphoric acid mono-{4-[5-oxo-4-(3-phenyl-propyl)...)
Show SMILES [O-]P([O-])(=O)Oc1ccc(cc1)C(=O)N[C@H]1CSCCN(CCCc2ccccc2)C1=O
Show InChI InChI=1S/C21H25N2O6PS/c24-20(17-8-10-18(11-9-17)29-30(26,27)28)22-19-15-31-14-13-23(21(19)25)12-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-11,19H,4,7,12-15H2,(H,22,24)(H2,26,27,28)/p-2/t19-/m0/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



Aventis Pharma

Curated by ChEMBL


Assay Description
Inhibitory concentration against SH2 domain of human p60 Src tyrosine kinase


J Med Chem 45: 2915-22 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1MNM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50103052
PNG
(CHEMBL303238 | Phosphoric acid benzyl ester 4-[(2-...)
Show SMILES COc1ccc(cc1)C1Sc2ccccc2N(CC(=O)NCc2cccc3ccccc23)C(=O)C1NC(=O)Cc1ccc(OP(O)(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C44H40N3O8PS/c1-53-35-24-20-33(21-25-35)43-42(46-40(48)26-30-18-22-36(23-19-30)55-56(51,52)54-29-31-10-3-2-4-11-31)44(50)47(38-16-7-8-17-39(38)57-43)28-41(49)45-27-34-14-9-13-32-12-5-6-15-37(32)34/h2-25,42-43H,26-29H2,1H3,(H,45,49)(H,46,48)(H,51,52)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution


Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50101077
PNG
((1S,4S)-2-((S)-2-{(S)-2-[2-Amino-3-(4-phosphonooxy...)
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](N)Cc1ccc(OP(O)(O)=O)cc1)C(O)=O
Show InChI InChI=1S/C25H37N4O13P/c1-3-13(2)21(25(37)38)29-24(36)18(9-11-20(32)33)28-23(35)17(8-10-19(30)31)27-22(34)16(26)12-14-4-6-15(7-5-14)42-43(39,40)41/h4-7,13,16-18,21H,3,8-12,26H2,1-2H3,(H,27,34)(H,28,35)(H,29,36)(H,30,31)(H,32,33)(H,37,38)(H2,39,40,41)/t13-,16-,17-,18-,21-/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity for Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 20% DMSO in buffer solution


Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50103049
PNG
(CHEMBL65844 | {(S)-2-[4-(Benzyloxy-hydroxy-phospho...)
Show SMILES COc1ccc(cc1)C1Sc2ccccc2N(CCCC2CCCCC2)C(=O)C1NC(=O)[C@H](Cc1ccc(OP(O)(=O)OCc2ccccc2)cc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C46H56N3O9PS/c1-46(2,3)57-45(52)47-38(30-33-21-25-37(26-22-33)58-59(53,54)56-31-34-16-9-6-10-17-34)43(50)48-41-42(35-23-27-36(55-4)28-24-35)60-40-20-12-11-19-39(40)49(44(41)51)29-13-18-32-14-7-5-8-15-32/h6,9-12,16-17,19-28,32,38,41-42H,5,7-8,13-15,18,29-31H2,1-4H3,(H,47,52)(H,48,50)(H,53,54)/t38-,41?,42?/m0/s1
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n/an/a 6.40E+3n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution


Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50101077
PNG
((1S,4S)-2-((S)-2-{(S)-2-[2-Amino-3-(4-phosphonooxy...)
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](N)Cc1ccc(OP(O)(O)=O)cc1)C(O)=O
Show InChI InChI=1S/C25H37N4O13P/c1-3-13(2)21(25(37)38)29-24(36)18(9-11-20(32)33)28-23(35)17(8-10-19(30)31)27-22(34)16(26)12-14-4-6-15(7-5-14)42-43(39,40)41/h4-7,13,16-18,21H,3,8-12,26H2,1-2H3,(H,27,34)(H,28,35)(H,29,36)(H,30,31)(H,32,33)(H,37,38)(H2,39,40,41)/t13-,16-,17-,18-,21-/m0/s1
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n/an/a 6.50E+3n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution


Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM14689
PNG
(4-[(2S)-2-acetamido-2-{[(3S)-2-oxo-1-[(4-phenylphe...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@H]1CCCCN(Cc2ccc(cc2)-c2ccccc2)C1=O |r|
Show InChI InChI=1S/C30H34N3O7P/c1-21(34)31-28(19-22-12-16-26(17-13-22)40-41(37,38)39)29(35)32-27-9-5-6-18-33(30(27)36)20-23-10-14-25(15-11-23)24-7-3-2-4-8-24/h2-4,7-8,10-17,27-28H,5-6,9,18-20H2,1H3,(H,31,34)(H,32,35)(H2,37,38,39)/t27-,28-/m0/s1
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n/an/a 9.00E+3n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity for Src SH2 domain in scintillation proximity binding assay (SPA)


J Med Chem 45: 2379-87 (2002)


BindingDB Entry DOI: 10.7270/Q21J992G
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50103050
PNG
(CHEMBL63752 | Phosphoric acid mono-[4-((S)-2-acety...)
Show SMILES CN(C)c1ccc(cc1)C(=O)CN1CCSC[C@H](NC(=O)[C@H](Cc2ccc(OP(O)(O)=O)cc2)NC(C)=O)C1=O
Show InChI InChI=1S/C26H33N4O8PS/c1-17(31)27-22(14-18-4-10-21(11-5-18)38-39(35,36)37)25(33)28-23-16-40-13-12-30(26(23)34)15-24(32)19-6-8-20(9-7-19)29(2)3/h4-11,22-23H,12-16H2,1-3H3,(H,27,31)(H,28,33)(H2,35,36,37)/t22-,23-/m0/s1
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n/an/a 9.30E+3n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution


Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50103048
PNG
(CHEMBL67529 | [(S)-1-[5-(3-Cyclohexyl-propyl)-4-ox...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)NC1CSc2ccccc2N(CCCC2CCCCC2)C1=O
Show InChI InChI=1S/C32H44N3O8PS/c1-32(2,3)42-31(38)34-25(20-23-15-17-24(18-16-23)43-44(39,40)41)29(36)33-26-21-45-28-14-8-7-13-27(28)35(30(26)37)19-9-12-22-10-5-4-6-11-22/h7-8,13-18,22,25-26H,4-6,9-12,19-21H2,1-3H3,(H,33,36)(H,34,38)(H2,39,40,41)/t25-,26?/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity for Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 20% DMSO in buffer solution


Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50103048
PNG
(CHEMBL67529 | [(S)-1-[5-(3-Cyclohexyl-propyl)-4-ox...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)NC1CSc2ccccc2N(CCCC2CCCCC2)C1=O
Show InChI InChI=1S/C32H44N3O8PS/c1-32(2,3)42-31(38)34-25(20-23-15-17-24(18-16-23)43-44(39,40)41)29(36)33-26-21-45-28-14-8-7-13-27(28)35(30(26)37)19-9-12-22-10-5-4-6-11-22/h7-8,13-18,22,25-26H,4-6,9-12,19-21H2,1-3H3,(H,33,36)(H,34,38)(H2,39,40,41)/t25-,26?/m0/s1
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KEGG

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n/an/a 1.10E+4n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity for Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 20% DMSO in buffer solution


Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50103044
PNG
(CHEMBL430262 | {(S)-2-[4-(Benzyloxy-hydroxy-phosph...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OP(O)(=O)OCc2ccccc2)cc1)C(=O)NC1CSc2ccccc2N(CCCC2CCCCC2)C1=O
Show InChI InChI=1S/C39H50N3O8PS/c1-39(2,3)49-38(45)41-32(25-29-20-22-31(23-21-29)50-51(46,47)48-26-30-15-8-5-9-16-30)36(43)40-33-27-52-35-19-11-10-18-34(35)42(37(33)44)24-12-17-28-13-6-4-7-14-28/h5,8-11,15-16,18-23,28,32-33H,4,6-7,12-14,17,24-27H2,1-3H3,(H,40,43)(H,41,45)(H,46,47)/t32-,33?/m0/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution


Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50103054
PNG
(((S)-2-[4-(Benzyloxy-hydroxy-phosphoryloxy)-phenyl...)
Show SMILES COc1ccc(cc1)C1Sc2ccccc2N(CC(=O)Nc2cccc(Oc3ccccc3)c2)C(=O)C1NC(=O)[C@H](Cc1ccc(OP(O)(=O)OCc2ccccc2)cc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C51H51N4O11PS/c1-51(2,3)65-50(59)53-42(30-34-22-26-40(27-23-34)66-67(60,61)63-33-35-14-7-5-8-15-35)48(57)54-46-47(36-24-28-38(62-4)29-25-36)68-44-21-12-11-20-43(44)55(49(46)58)32-45(56)52-37-16-13-19-41(31-37)64-39-17-9-6-10-18-39/h5-29,31,42,46-47H,30,32-33H2,1-4H3,(H,52,56)(H,53,59)(H,54,57)(H,60,61)/t42-,46?,47?/m0/s1
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n/an/a 1.42E+4n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution


Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50103064
PNG
(4'-[3-{(S)-3-[4-(Benzyloxy-hydroxy-phosphoryloxy)-...)
Show SMILES COc1ccc(cc1)C1Sc2ccccc2N(Cc2ccc(cc2)-c2ccccc2C(=O)OC(C)(C)C)C(=O)C1NC(=O)[C@H](Cc1ccc(OP(O)(=O)OCc2ccccc2)cc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C55H58N3O11PS/c1-54(2,3)67-52(61)44-18-12-11-17-43(44)39-25-21-37(22-26-39)34-58-46-19-13-14-20-47(46)71-49(40-27-31-41(65-7)32-28-40)48(51(58)60)57-50(59)45(56-53(62)68-55(4,5)6)33-36-23-29-42(30-24-36)69-70(63,64)66-35-38-15-9-8-10-16-38/h8-32,45,48-49H,33-35H2,1-7H3,(H,56,62)(H,57,59)(H,63,64)/t45-,48?,49?/m0/s1
PDB
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KEGG

UniProtKB/SwissProt

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PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



Aventis

Curated by ChEMBL


Assay Description
Binding affinity was determined on Src protein tryrosine kinase SH2 domain using fluorescence polarization assay with 2% DMSO in buffer solution


Bioorg Med Chem Lett 11: 2127-31 (2001)


BindingDB Entry DOI: 10.7270/Q247495R
More data for this
Ligand-Target Pair
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