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Compile Data Set for Download or QSAR

Found 142 hits with Last Name = 'schoot' and Initial = 'b'   
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 [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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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))		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


(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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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))		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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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))		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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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))		BDBM50112427
PNG
(CHEMBL281775 | 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)-c2cccs2)C1=O
Show InChI InChI=1S/C28H32N3O7PS/c1-19(32)29-25(17-20-9-13-23(14-10-20)38-39(35,36)37)27(33)30-24-5-2-3-15-31(28(24)34)18-21-7-11-22(12-8-21)26-6-4-16-40-26/h4,6-14,16,24-25H,2-3,5,15,17-18H2,1H3,(H,29,32)(H,30,33)(H2,35,36,37)/t24-,25-/m0/s1
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Aventis Pharma

Curated by ChEMBL


Assay Description
Binding affinity towards p60 Src tyrosine kinase using scintillation proximity assay

Bioorg Med Chem Lett 12: 1291-4 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07MZ
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))		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))		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))		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))		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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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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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))		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
Binding affinity towards p60 Src tyrosine kinase using scintillation proximity assay

Bioorg Med Chem Lett 12: 1291-4 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07MZ
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 [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))		BDBM50112418
PNG
(CHEMBL433046 | 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)-c2ccccc2C#N)C1=O
Show InChI InChI=1S/C31H33N4O7P/c1-21(36)33-29(18-22-11-15-26(16-12-22)42-43(39,40)41)30(37)34-28-8-4-5-17-35(31(28)38)20-23-9-13-24(14-10-23)27-7-3-2-6-25(27)19-32/h2-3,6-7,9-16,28-29H,4-5,8,17-18,20H2,1H3,(H,33,36)(H,34,37)(H2,39,40,41)/t28-,29-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Aventis Pharma

Curated by ChEMBL


Assay Description
Binding affinity towards p60 Src tyrosine kinase using scintillation proximity assay

Bioorg Med Chem Lett 12: 1291-4 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07MZ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50112438
PNG
(4-{3-[2-Acetylamino-3-(4-phosphonooxy-phenyl)-prop...)
Show SMILES COC(=O)c1ccc(CN2CCCC[C@H](NC(=O)[C@H](Cc3ccc(OP(O)(O)=O)cc3)NC(C)=O)C2=O)cc1
Show InChI InChI=1S/C26H32N3O9P/c1-17(30)27-23(15-18-8-12-21(13-9-18)38-39(34,35)36)24(31)28-22-5-3-4-14-29(25(22)32)16-19-6-10-20(11-7-19)26(33)37-2/h6-13,22-23H,3-5,14-16H2,1-2H3,(H,27,30)(H,28,31)(H2,34,35,36)/t22-,23-/m0/s1
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n/an/a 58n/an/an/an/an/an/a



Aventis Pharma

Curated by ChEMBL


Assay Description
Binding affinity towards p60 Src tyrosine kinase using scintillation proximity assay

Bioorg Med Chem Lett 12: 1291-4 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07MZ
More data for this
Ligand-Target Pair
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 87n/an/an/an/an/an/a



Aventis Pharma

Curated by ChEMBL


Assay Description
Binding affinity towards p60 Src tyrosine kinase using scintillation proximity assay

Bioorg Med Chem Lett 12: 1291-4 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07MZ
More data for this
Ligand-Target Pair
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
Binding affinity towards p60 Src tyrosine kinase using scintillation proximity assay

Bioorg Med Chem Lett 12: 1291-4 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07MZ
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))		BDBM50112425
PNG
(CHEMBL24453 | Phosphoric acid mono-(4-{2-acetylami...)
Show SMILES CCCc1ccc(CN2CCCC[C@H](NC(=O)[C@H](Cc3ccc(OP(O)(O)=O)cc3)NC(C)=O)C2=O)cc1
Show InChI InChI=1S/C27H36N3O7P/c1-3-6-20-8-10-22(11-9-20)18-30-16-5-4-7-24(27(30)33)29-26(32)25(28-19(2)31)17-21-12-14-23(15-13-21)37-38(34,35)36/h8-15,24-25H,3-7,16-18H2,1-2H3,(H,28,31)(H,29,32)(H2,34,35,36)/t24-,25-/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Aventis Pharma

Curated by ChEMBL


Assay Description
Binding affinity towards p60 Src tyrosine kinase using scintillation proximity assay

Bioorg Med Chem Lett 12: 1291-4 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07MZ
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))		BDBM50112422
PNG
(CHEMBL24540 | Phosphoric acid mono-(4-{2-acetylami...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@H]1CCCCN(C\C=C\c2ccccc2)C1=O
Show InChI InChI=1S/C26H32N3O7P/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/h2-4,7-10,12-15,23-24H,5-6,11,16-18H2,1H3,(H,27,30)(H,28,31)(H2,33,34,35)/b10-7+/t23-,24-/m0/s1
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n/an/a 280n/an/an/an/an/an/a



Aventis Pharma

Curated by ChEMBL


Assay Description
Binding affinity towards p60 Src tyrosine kinase using scintillation proximity assay

Bioorg Med Chem Lett 12: 1291-4 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07MZ
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
Binding affinity towards p60 Src tyrosine kinase using scintillation proximity assay

Bioorg Med Chem Lett 12: 1291-4 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07MZ
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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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))		BDBM50112436
PNG
(CHEMBL285441 | Phosphoric acid mono-(4-{2-acetylam...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@H]1CSCCN(Cc2ccc(cc2)-c2ccccc2C#N)C1=O
Show InChI InChI=1S/C30H31N4O7PS/c1-20(35)32-27(16-21-8-12-25(13-9-21)41-42(38,39)40)29(36)33-28-19-43-15-14-34(30(28)37)18-22-6-10-23(11-7-22)26-5-3-2-4-24(26)17-31/h2-13,27-28H,14-16,18-19H2,1H3,(H,32,35)(H,33,36)(H2,38,39,40)/t27-,28-/m0/s1
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Aventis Pharma

Curated by ChEMBL


Assay Description
Binding affinity towards p60 Src tyrosine kinase using scintillation proximity assay

Bioorg Med Chem Lett 12: 1291-4 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07MZ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50112413
PNG
(CHEMBL286993 | 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)-c2ccc(F)cc2F)C1=O
Show InChI InChI=1S/C30H32F2N3O7P/c1-19(36)33-28(16-20-7-12-24(13-8-20)42-43(39,40)41)29(37)34-27-4-2-3-15-35(30(27)38)18-21-5-9-22(10-6-21)25-14-11-23(31)17-26(25)32/h5-14,17,27-28H,2-4,15-16,18H2,1H3,(H,33,36)(H,34,37)(H2,39,40,41)/t27-,28-/m0/s1
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Aventis Pharma

Curated by ChEMBL


Assay Description
Binding affinity towards p60 Src tyrosine kinase using scintillation proximity assay

Bioorg Med Chem Lett 12: 1291-4 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07MZ
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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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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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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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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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 [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))		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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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))		BDBM50112412
PNG
(CHEMBL413526 | 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)-c2ccc(Cl)cc2)C1=O
Show InChI InChI=1S/C30H33ClN3O7P/c1-20(35)32-28(18-21-7-15-26(16-8-21)41-42(38,39)40)29(36)33-27-4-2-3-17-34(30(27)37)19-22-5-9-23(10-6-22)24-11-13-25(31)14-12-24/h5-16,27-28H,2-4,17-19H2,1H3,(H,32,35)(H,33,36)(H2,38,39,40)/t27-,28-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Aventis Pharma

Curated by ChEMBL


Assay Description
Binding affinity towards p60 Src tyrosine kinase using scintillation proximity assay

Bioorg Med Chem Lett 12: 1291-4 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07MZ
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))		BDBM50112435
PNG
(CHEMBL280763 | Phosphoric acid mono-[4-(1-biphenyl...)
Show SMILES OP(O)(=O)Oc1ccc(cc1)C(=O)N[C@H]1CCCCN(Cc2ccc(cc2)-c2ccccc2)C1=O
Show InChI InChI=1S/C26H27N2O6P/c29-25(22-13-15-23(16-14-22)34-35(31,32)33)27-24-8-4-5-17-28(26(24)30)18-19-9-11-21(12-10-19)20-6-2-1-3-7-20/h1-3,6-7,9-16,24H,4-5,8,17-18H2,(H,27,29)(H2,31,32,33)/t24-/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Aventis Pharma

Curated by ChEMBL


Assay Description
Binding affinity towards p60 Src tyrosine kinase using scintillation proximity assay

Bioorg Med Chem Lett 12: 1291-4 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07MZ
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))		BDBM50112431
PNG
(CHEMBL25954 | Phosphoric acid mono-(4-{2-acetylami...)
Show SMILES COc1cccc(CN2CCCC[C@H](NC(=O)[C@H](Cc3ccc(OP(O)(O)=O)cc3)NC(C)=O)C2=O)c1
Show InChI InChI=1S/C25H32N3O8P/c1-17(29)26-23(15-18-9-11-20(12-10-18)36-37(32,33)34)24(30)27-22-8-3-4-13-28(25(22)31)16-19-6-5-7-21(14-19)35-2/h5-7,9-12,14,22-23H,3-4,8,13,15-16H2,1-2H3,(H,26,29)(H,27,30)(H2,32,33,34)/t22-,23-/m0/s1
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KEGG

UniProtKB/SwissProt

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n/an/a 1.70E+3n/an/an/an/an/an/a



Aventis Pharma

Curated by ChEMBL


Assay Description
Binding affinity towards p60 Src tyrosine kinase using scintillation proximity assay

Bioorg Med Chem Lett 12: 1291-4 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07MZ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50112434
PNG
(CHEMBL286072 | 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(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1=O
Show InChI InChI=1S/C26H28F6N3O7P/c1-15(36)33-22(12-16-5-7-20(8-6-16)42-43(39,40)41)23(37)34-21-4-2-3-9-35(24(21)38)14-17-10-18(25(27,28)29)13-19(11-17)26(30,31)32/h5-8,10-11,13,21-22H,2-4,9,12,14H2,1H3,(H,33,36)(H,34,37)(H2,39,40,41)/t21-,22-/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Aventis Pharma

Curated by ChEMBL


Assay Description
Binding affinity towards p60 Src tyrosine kinase using scintillation proximity assay

Bioorg Med Chem Lett 12: 1291-4 (2002)


BindingDB Entry DOI: 10.7270/Q2DZ07MZ
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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Article
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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)
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