Compile Data Set for Download or QSAR
Found 9 Enz. Inhib. hit(s) with all data for entry = 50036947
TargetTyrosine-protein kinase Lck(Homo sapiens (Human))
Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL
LigandPNGBDBM50101670((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)
Affinity DataKd:  7.00E+3nMAssay Description:Binding affinity for p56lck SH2 domain siteMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase Lck(Homo sapiens (Human))
Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL
LigandPNGBDBM50369833(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
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
Affinity DataKd:  5.00E+4nMAssay Description:Binding affinity for p56lck SH2 domain siteMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase Lck(Homo sapiens (Human))
Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL
LigandPNGBDBM50101671((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)
Affinity DataKd:  1.20E+3nMAssay Description:Binding affinity for p56lck SH2 domain siteMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase Lck(Homo sapiens (Human))
Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL
LigandPNGBDBM50101672(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)
Affinity DataKd:  2.30E+4nMAssay Description:Binding affinity for p56lck SH2 domain siteMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase Lck(Homo sapiens (Human))
Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL
LigandPNGBDBM50101669((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)
Affinity DataKd:  280nMAssay Description:Binding affinity for p56lck SH2 domain siteMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase Lck(Homo sapiens (Human))
Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL
LigandPNGBDBM50101673((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)
Affinity DataKd:  1.20E+3nMAssay Description:Binding affinity for p56lck SH2 domain siteMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase Lck(Homo sapiens (Human))
Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL
LigandPNGBDBM50077211((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
Affinity DataKd:  5.00E+3nMAssay Description:Binding affinity for p56lck SH2 domain siteMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase Lck(Homo sapiens (Human))
Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL
LigandPNGBDBM50111444(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
Affinity DataKd:  1.00E+3nMAssay Description:Binding affinity for p56lck SH2 domain siteMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase Lck(Homo sapiens (Human))
Boehringer Ingelheim (Canada) Ltd

Curated by ChEMBL
LigandPNGBDBM50101668(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)
Affinity DataKd:  1.30E+3nMAssay Description:Binding affinity for p56lck SH2 domain siteMore data for this Ligand-Target Pair