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PubMed code 11448224

Compile data set for download or QSAR
Found 9 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
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50101670
PNG
((4-{2-Acetylamino-2-[1-(4-methoxy-benzyl)-4-methyl...)
Show SMILES COc1ccc(Cn2ccc(C)c(NC(=O)C(Cc3ccc(CC(O)=O)cc3)NC(C)=O)c2=O)cc1
Show InChI InChI=1S/C27H29N3O6/c1-17-12-13-30(16-21-8-10-22(36-3)11-9-21)27(35)25(17)29-26(34)23(28-18(2)31)14-19-4-6-20(7-5-19)15-24(32)33/h4-13,23H,14-16H2,1-3H3,(H,28,31)(H,29,34)(H,32,33)
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n/an/an/a 7.00E+3n/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for p56lck SH2 domain site

J Med Chem 44: 2421-31 (2001)


BindingDB Entry DOI: 10.7270/Q26T0NB3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50101672
PNG
(CHEMBL312396 | {4-[2-[1-(4-Methoxy-benzyl)-2-oxo-2...)
Show SMILES COc1ccc(Cn2cccc(NC(=O)C(Cc3ccc(CC(O)=O)cc3)NC(=O)Cc3cccc4ccccc34)c2=O)cc1
Show InChI InChI=1S/C36H33N3O6/c1-45-29-17-15-26(16-18-29)23-39-19-5-10-31(36(39)44)38-35(43)32(20-24-11-13-25(14-12-24)21-34(41)42)37-33(40)22-28-8-4-7-27-6-2-3-9-30(27)28/h2-19,32H,20-23H2,1H3,(H,37,40)(H,38,43)(H,41,42)
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n/an/an/a 2.30E+4n/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for p56lck SH2 domain site

J Med Chem 44: 2421-31 (2001)


BindingDB Entry DOI: 10.7270/Q26T0NB3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50101668
PNG
(CHEMBL77967 | {4-[2-[1-(4-Methoxy-benzyl)-4-methyl...)
Show SMILES COc1ccc(Cn2ccc(C)c(NC(=O)C(Cc3ccc(CC(O)=O)cc3)NC(=O)Cc3cccc4ccccc34)c2=O)cc1
Show InChI InChI=1S/C37H35N3O6/c1-24-18-19-40(23-27-14-16-30(46-2)17-15-27)37(45)35(24)39-36(44)32(20-25-10-12-26(13-11-25)21-34(42)43)38-33(41)22-29-8-5-7-28-6-3-4-9-31(28)29/h3-19,32H,20-23H2,1-2H3,(H,38,41)(H,39,44)(H,42,43)
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n/an/an/a 1.30E+3n/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for p56lck SH2 domain site

J Med Chem 44: 2421-31 (2001)


BindingDB Entry DOI: 10.7270/Q26T0NB3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50101669
PNG
((RS)2-{4-[2-[1-(4-Methoxy-benzyl)-4-methyl-2-oxo-2...)
Show SMILES COc1ccc(Cn2ccc(C)c(NC(=O)C(Cc3ccc(cc3)C(C)(C)C(O)=O)NC(=O)Cc3ccc4ccccc4c3)c2=O)cc1
Show InChI InChI=1S/C39H39N3O6/c1-25-19-20-42(24-27-12-17-32(48-4)18-13-27)37(45)35(25)41-36(44)33(22-26-10-15-31(16-11-26)39(2,3)38(46)47)40-34(43)23-28-9-14-29-7-5-6-8-30(29)21-28/h5-21,33H,22-24H2,1-4H3,(H,40,43)(H,41,44)(H,46,47)
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n/an/an/a 280n/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for p56lck SH2 domain site

J Med Chem 44: 2421-31 (2001)


BindingDB Entry DOI: 10.7270/Q26T0NB3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50111444
PNG
(2-{4-[2-[1-(4-Methoxy-benzyl)-4-methyl-2-oxo-1,2-d...)
Show SMILES COc1ccc(Cn2ccc(C)c(NC(=O)[C@H](Cc3ccc(cc3)C(C)(C)C(O)=O)NC(=O)C(C)(C)c3ccc4ccccc4c3)c2=O)cc1
Show InChI InChI=1S/C41H43N3O6/c1-26-21-22-44(25-28-13-19-33(50-6)20-14-28)37(46)35(26)43-36(45)34(23-27-11-16-31(17-12-27)41(4,5)39(48)49)42-38(47)40(2,3)32-18-15-29-9-7-8-10-30(29)24-32/h7-22,24,34H,23,25H2,1-6H3,(H,42,47)(H,43,45)(H,48,49)/t34-/m0/s1
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n/an/an/a 1.00E+3n/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for p56lck SH2 domain site

J Med Chem 44: 2421-31 (2001)


BindingDB Entry DOI: 10.7270/Q26T0NB3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50101671
PNG
((RS)-2-{4-[2-[1-(4-Methoxy-benzyl)-4-methyl-2-oxo-...)
Show SMILES COc1ccc(Cn2ccc(C)c(NC(=O)C(Cc3ccc(cc3)C(C)(C)C(O)=O)NC(=O)C(C)(C)c3cccc4ccccc34)c2=O)cc1
Show InChI InChI=1S/C41H43N3O6/c1-26-22-23-44(25-28-16-20-31(50-6)21-17-28)37(46)35(26)43-36(45)34(24-27-14-18-30(19-15-27)40(2,3)39(48)49)42-38(47)41(4,5)33-13-9-11-29-10-7-8-12-32(29)33/h7-23,34H,24-25H2,1-6H3,(H,42,47)(H,43,45)(H,48,49)
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n/an/an/a 1.20E+3n/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for p56lck SH2 domain site

J Med Chem 44: 2421-31 (2001)


BindingDB Entry DOI: 10.7270/Q26T0NB3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50101673
PNG
((RS)2-{4-[2-[1-(4-Methoxy-benzyl)-4-methyl-2-oxo-2...)
Show SMILES COc1ccc(Cn2ccc(C)c(NC(=O)C(Cc3ccc(cc3)C(C)(C)C(O)=O)NC(=O)Cc3cccc4ccccc34)c2=O)cc1
Show InChI InChI=1S/C39H39N3O6/c1-25-20-21-42(24-27-14-18-31(48-4)19-15-27)37(45)35(25)41-36(44)33(22-26-12-16-30(17-13-26)39(2,3)38(46)47)40-34(43)23-29-10-7-9-28-8-5-6-11-32(28)29/h5-21,33H,22-24H2,1-4H3,(H,40,43)(H,41,44)(H,46,47)
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n/an/an/a 1.20E+3n/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for p56lck SH2 domain site

J Med Chem 44: 2421-31 (2001)


BindingDB Entry DOI: 10.7270/Q26T0NB3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50077211
PNG
((S)-4-[(S)-3-(4-Carboxymethyl-phenyl)-2-(2-naphtha...)
Show SMILES COc1ccc(CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2ccc(CC(O)=O)cc2)NC(=O)Cc2cccc3ccccc23)cc1
Show InChI InChI=1S/C36H37N3O8/c1-47-28-15-13-25(14-16-28)22-37-35(45)30(17-18-33(41)42)39-36(46)31(19-23-9-11-24(12-10-23)20-34(43)44)38-32(40)21-27-7-4-6-26-5-2-3-8-29(26)27/h2-16,30-31H,17-22H2,1H3,(H,37,45)(H,38,40)(H,39,46)(H,41,42)(H,43,44)/t30-,31-/m0/s1
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n/an/an/a 5.00E+3n/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for p56lck SH2 domain site

J Med Chem 44: 2421-31 (2001)


BindingDB Entry DOI: 10.7270/Q26T0NB3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50369833
PNG
(CHEMBL1907668)
Show SMILES COc1ccc(Cn2ccc(C)c(NC(=O)[C@@H](Cc3ccc(cc3)C(C)(C)C(O)=O)NC(=O)C(C)(C)c3ccc4ccccc4c3)c2=O)cc1 |r|
Show InChI InChI=1S/C41H43N3O6/c1-26-21-22-44(25-28-13-19-33(50-6)20-14-28)37(46)35(26)43-36(45)34(23-27-11-16-31(17-12-27)41(4,5)39(48)49)42-38(47)40(2,3)32-18-15-29-9-7-8-10-30(29)24-32/h7-22,24,34H,23,25H2,1-6H3,(H,42,47)(H,43,45)(H,48,49)/t34-/m1/s1
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n/an/an/a 5.00E+4n/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Binding affinity for p56lck SH2 domain site

J Med Chem 44: 2421-31 (2001)


BindingDB Entry DOI: 10.7270/Q26T0NB3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%