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PubMed code 15261270

Compile data set for download or QSAR
Found 7 hits of Enzyme Inhibition Constant Data   
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))		BDBM50150360
PNG
(CHEMBL426793 | Copper complex)
Show SMILES COc1cccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)COc2cc3C(=O)O[Cu]4(O)OC(=O)c(c2)[n+]34)c1
Show InChI InChI=1S/C26H25N3O8.Cu.H2O/c1-36-18-9-5-8-17(10-18)14-27-24(31)20(11-16-6-3-2-4-7-16)29-23(30)15-37-19-12-21(25(32)33)28-22(13-19)26(34)35;;/h2-10,12-13,20H,11,14-15H2,1H3,(H,27,31)(H,29,30)(H,32,33)(H,34,35);;1H2/q;+4;/p-3/t20-;;/m0../s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



Darmstadt Technical University

Curated by ChEMBL


Assay Description
Inhibition of fluorescent (GpYEEI) binding to Src protein tryrosine kinase SH2 domain

Bioorg Med Chem Lett 14: 4203-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.018
BindingDB Entry DOI: 10.7270/Q2VX0FZM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50150361
PNG
(CHEMBL360940 | Copper complex)
Show SMILES COc1cccc(CNC(=O)[C@@H](NC(=O)COc2cc3C(=O)O[Cu]4(O)OC(=O)c(c2)[n+]34)c2ccccc2)c1
Show InChI InChI=1S/C25H23N3O8.Cu.H2O/c1-35-17-9-5-6-15(10-17)13-26-23(30)22(16-7-3-2-4-8-16)28-21(29)14-36-18-11-19(24(31)32)27-20(12-18)25(33)34;;/h2-12,22H,13-14H2,1H3,(H,26,30)(H,28,29)(H,31,32)(H,33,34);;1H2/q;+4;/p-3/t22-;;/m0../s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



Darmstadt Technical University

Curated by ChEMBL


Assay Description
Inhibition of fluorescent (GpYEEI) binding to Src protein tryrosine kinase SH2 domain

Bioorg Med Chem Lett 14: 4203-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.018
BindingDB Entry DOI: 10.7270/Q2VX0FZM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50150357
PNG
(4-({(S)-1-[(Benzo[1,3]dioxol-5-ylmethyl)-carbamoyl...)
Show SMILES COC(=O)c1cc(OCC(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc3OCOc3c2)cc(n1)C(=O)OC
Show InChI InChI=1S/C28H27N3O9/c1-36-27(34)21-12-19(13-22(30-21)28(35)37-2)38-15-25(32)31-20(10-17-6-4-3-5-7-17)26(33)29-14-18-8-9-23-24(11-18)40-16-39-23/h3-9,11-13,20H,10,14-16H2,1-2H3,(H,29,33)(H,31,32)/t20-/m0/s1
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n/an/a 3.96E+5n/an/an/an/an/an/a



Darmstadt Technical University

Curated by ChEMBL


Assay Description
Inhibition of fluorescent (GpYEEI) binding to Src protein tryrosine kinase SH2 domain

Bioorg Med Chem Lett 14: 4203-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.018
BindingDB Entry DOI: 10.7270/Q2VX0FZM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50150359
PNG
(4-{[(S)-1-(3-Methoxy-benzylcarbamoyl)-2-phenyl-eth...)
Show SMILES COC(=O)c1cc(OCC(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2cccc(OC)c2)cc(n1)C(=O)OC
Show InChI InChI=1S/C28H29N3O8/c1-36-20-11-7-10-19(12-20)16-29-26(33)22(13-18-8-5-4-6-9-18)31-25(32)17-39-21-14-23(27(34)37-2)30-24(15-21)28(35)38-3/h4-12,14-15,22H,13,16-17H2,1-3H3,(H,29,33)(H,31,32)/t22-/m0/s1
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n/an/a 6.63E+5n/an/an/an/an/an/a



Darmstadt Technical University

Curated by ChEMBL


Assay Description
Inhibition of fluorescent (GpYEEI) binding to Src protein tryrosine kinase SH2 domain

Bioorg Med Chem Lett 14: 4203-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.018
BindingDB Entry DOI: 10.7270/Q2VX0FZM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50150356
PNG
(4-{[(S)-1-(3-Methoxy-benzylcarbamoyl)-2-methyl-pro...)
Show SMILES COC(=O)c1cc(OCC(=O)N[C@@H](C(C)C)C(=O)NCc2cccc(OC)c2)cc(n1)C(=O)OC
Show InChI InChI=1S/C24H29N3O8/c1-14(2)21(22(29)25-12-15-7-6-8-16(9-15)32-3)27-20(28)13-35-17-10-18(23(30)33-4)26-19(11-17)24(31)34-5/h6-11,14,21H,12-13H2,1-5H3,(H,25,29)(H,27,28)/t21-/m0/s1
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n/an/a 7.13E+5n/an/an/an/an/an/a



Darmstadt Technical University

Curated by ChEMBL


Assay Description
Inhibition of fluorescent (GpYEEI) binding to Src protein tryrosine kinase SH2 domain

Bioorg Med Chem Lett 14: 4203-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.018
BindingDB Entry DOI: 10.7270/Q2VX0FZM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50150355
PNG
(4-[({(S)-[(Benzo[1,3]dioxol-5-ylmethyl)-carbamoyl]...)
Show SMILES COC(=O)c1cc(OCC(=O)N[C@H](C(=O)NCc2ccc3OCOc3c2)c2ccccc2)cc(n1)C(=O)OC
Show InChI InChI=1S/C27H25N3O9/c1-35-26(33)19-11-18(12-20(29-19)27(34)36-2)37-14-23(31)30-24(17-6-4-3-5-7-17)25(32)28-13-16-8-9-21-22(10-16)39-15-38-21/h3-12,24H,13-15H2,1-2H3,(H,28,32)(H,30,31)/t24-/m0/s1
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n/an/a 7.14E+5n/an/an/an/an/an/a



Darmstadt Technical University

Curated by ChEMBL


Assay Description
Inhibition of fluorescent (GpYEEI) binding to Src protein tryrosine kinase SH2 domain

Bioorg Med Chem Lett 14: 4203-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.018
BindingDB Entry DOI: 10.7270/Q2VX0FZM
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))		BDBM50150358
PNG
(5-{[(S)-1-(4-Methoxy-benzylcarbamoyl)-3-methyl-but...)
Show SMILES COc1ccc(CNC(=O)[C@H](CC(C)C)NC(=O)COc2cc(cc(c2)C(O)=O)C(O)=O)cc1
Show InChI InChI=1S/C24H28N2O8/c1-14(2)8-20(22(28)25-12-15-4-6-18(33-3)7-5-15)26-21(27)13-34-19-10-16(23(29)30)9-17(11-19)24(31)32/h4-7,9-11,14,20H,8,12-13H2,1-3H3,(H,25,28)(H,26,27)(H,29,30)(H,31,32)/t20-/m0/s1
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n/an/a 8.64E+5n/an/an/an/an/an/a



Darmstadt Technical University

Curated by ChEMBL


Assay Description
Inhibition of fluorescent (GpYEEI) binding to Src protein tryrosine kinase SH2 domain

Bioorg Med Chem Lett 14: 4203-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.018
BindingDB Entry DOI: 10.7270/Q2VX0FZM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%