Compile Data Set for Download or QSAR
Found 35 Enz. Inhib. hit(s) with all data for entry = 50009121
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
ARIAD Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50080177((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
Affinity DataIC50: 6.00E+3nMAssay Description:Binding affinity against Src-homology 2 (SRC SH2).More data for this Ligand-Target Pair
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
ARIAD Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50080198((S)-4-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)...)
Show SMILES CCCCCCCc1noc(n1)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O
Show InChI InChI=1S/C24H35N4O9P/c1-3-4-5-6-7-8-21-27-24(36-28-21)19(13-14-22(30)31)26-23(32)20(25-16(2)29)15-17-9-11-18(12-10-17)37-38(33,34)35/h9-12,19-20H,3-8,13-15H2,1-2H3,(H,25,29)(H,26,32)(H,30,31)(H2,33,34,35)/t19-,20-/m0/s1
Affinity DataIC50: 7.00E+3nMAssay Description:Binding affinity against Src-homology 2 (SRC SH2).More data for this Ligand-Target Pair
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
ARIAD Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50080193((S)-4-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)...)
Show SMILES CCCCCCc1noc(n1)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O
Show InChI InChI=1S/C23H33N4O9P/c1-3-4-5-6-7-20-26-23(35-27-20)18(12-13-21(29)30)25-22(31)19(24-15(2)28)14-16-8-10-17(11-9-16)36-37(32,33)34/h8-11,18-19H,3-7,12-14H2,1-2H3,(H,24,28)(H,25,31)(H,29,30)(H2,32,33,34)/t18-,19-/m0/s1
Affinity DataIC50: 8.00E+3nMAssay Description:Binding affinity against Src-homology 2 (SRC SH2).More data for this Ligand-Target Pair
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
ARIAD Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50080179(CHEMBL80765 | Phosphoric acid mono-(4-{(S)-2-acety...)
Show SMILES CCCCCCc1cnc(s1)[C@H](CC)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O
Show InChI InChI=1S/C23H34N3O6PS/c1-4-6-7-8-9-19-15-24-23(34-19)20(5-2)26-22(28)21(25-16(3)27)14-17-10-12-18(13-11-17)32-33(29,30)31/h10-13,15,20-21H,4-9,14H2,1-3H3,(H,25,27)(H,26,28)(H2,29,30,31)/t20-,21-/m0/s1
Affinity DataIC50: 1.20E+4nMAssay Description:Binding affinity against Src-homology 2 (SRC SH2).More data for this Ligand-Target Pair
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
ARIAD Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50080186(CHEMBL77702 | Phosphoric acid mono-(4-{(S)-2-acety...)
Show SMILES CCCCCCc1cnc(s1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O
Show InChI InChI=1S/C30H37N4O6PS/c1-3-4-5-6-9-24-19-32-30(42-24)28(17-22-18-31-26-11-8-7-10-25(22)26)34-29(36)27(33-20(2)35)16-21-12-14-23(15-13-21)40-41(37,38)39/h7-8,10-15,18-19,27-28,31H,3-6,9,16-17H2,1-2H3,(H,33,35)(H,34,36)(H2,37,38,39)/t27-,28-/m0/s1
Affinity DataIC50: 1.40E+4nMAssay Description:Binding affinity against Src-homology 2 (SRC SH2).More data for this Ligand-Target Pair
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
ARIAD Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50080180(CHEMBL311101 | Phosphoric acid mono-(4-{(S)-2-acet...)
Show SMILES CCCCCCc1noc(n1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O
Show InChI InChI=1S/C29H36N5O7P/c1-3-4-5-6-11-27-33-29(40-34-27)26(17-21-18-30-24-10-8-7-9-23(21)24)32-28(36)25(31-19(2)35)16-20-12-14-22(15-13-20)41-42(37,38)39/h7-10,12-15,18,25-26,30H,3-6,11,16-17H2,1-2H3,(H,31,35)(H,32,36)(H2,37,38,39)/t25-,26-/m0/s1
Affinity DataIC50: 1.60E+4nMAssay Description:Binding affinity against Src-homology 2 (SRC SH2).More data for this Ligand-Target Pair
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
ARIAD Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50080187((S)-4-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(O)=O)c1ncc(CC2CCCCC2)s1
Show InChI InChI=1S/C25H34N3O8PS/c1-16(29)27-22(14-18-7-9-19(10-8-18)36-37(33,34)35)24(32)28-21(11-12-23(30)31)25-26-15-20(38-25)13-17-5-3-2-4-6-17/h7-10,15,17,21-22H,2-6,11-14H2,1H3,(H,27,29)(H,28,32)(H,30,31)(H2,33,34,35)/t21-,22-/m0/s1
Affinity DataIC50: 1.60E+4nMAssay Description:Binding affinity against Src-homology 2 (SRC SH2).More data for this Ligand-Target Pair
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
ARIAD Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50080183((S)-4-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)...)
Show SMILES CCCCCc1noc(n1)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O
Show InChI InChI=1S/C22H31N4O9P/c1-3-4-5-6-19-25-22(34-26-19)17(11-12-20(28)29)24-21(30)18(23-14(2)27)13-15-7-9-16(10-8-15)35-36(31,32)33/h7-10,17-18H,3-6,11-13H2,1-2H3,(H,23,27)(H,24,30)(H,28,29)(H2,31,32,33)/t17-,18-/m0/s1
Affinity DataIC50: 2.10E+4nMAssay Description:Binding affinity against Src-homology 2 (SRC SH2).More data for this Ligand-Target Pair
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
ARIAD Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50080181(CHEMBL77338 | Phosphoric acid mono-(4-{(S)-2-acety...)
Show SMILES CCCCCCCc1noc(n1)[C@H](CC)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O
Show InChI InChI=1S/C23H35N4O7P/c1-4-6-7-8-9-10-21-26-23(33-27-21)19(5-2)25-22(29)20(24-16(3)28)15-17-11-13-18(14-12-17)34-35(30,31)32/h11-14,19-20H,4-10,15H2,1-3H3,(H,24,28)(H,25,29)(H2,30,31,32)/t19-,20-/m0/s1
Affinity DataIC50: 2.20E+4nMAssay Description:Binding affinity against Src-homology 2 (SRC SH2).More data for this Ligand-Target Pair
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
ARIAD Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50080196(CHEMBL78037 | Phosphoric acid mono-(4-{(S)-2-acety...)
Show SMILES CCCCCCc1noc(n1)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O
Show InChI InChI=1S/C23H34N5O8P/c1-3-4-5-6-7-21-27-23(35-28-21)18(12-13-20(24)30)26-22(31)19(25-15(2)29)14-16-8-10-17(11-9-16)36-37(32,33)34/h8-11,18-19H,3-7,12-14H2,1-2H3,(H2,24,30)(H,25,29)(H,26,31)(H2,32,33,34)/t18-,19-/m0/s1
Affinity DataIC50: 2.40E+4nMAssay Description:Binding affinity against Src-homology 2 (SRC SH2).More data for this Ligand-Target Pair
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
ARIAD Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50080195(CHEMBL311740 | 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](Cc1c[nH]c2ccccc12)c1nc(Cc2ccccc2)no1
Show InChI InChI=1S/C30H30N5O7P/c1-19(36)32-26(15-21-11-13-23(14-12-21)42-43(38,39)40)29(37)33-27(17-22-18-31-25-10-6-5-9-24(22)25)30-34-28(35-41-30)16-20-7-3-2-4-8-20/h2-14,18,26-27,31H,15-17H2,1H3,(H,32,36)(H,33,37)(H2,38,39,40)/t26-,27-/m0/s1
Affinity DataIC50: 2.50E+4nMAssay Description:Binding affinity against Src-homology 2 (SRC SH2).More data for this Ligand-Target Pair
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
ARIAD Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50080197(CHEMBL80295 | Phosphoric acid mono-(4-{(S)-2-acety...)
Show SMILES CCCCCCc1noc(n1)[C@H](CC)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O
Show InChI InChI=1S/C22H33N4O7P/c1-4-6-7-8-9-20-25-22(32-26-20)18(5-2)24-21(28)19(23-15(3)27)14-16-10-12-17(13-11-16)33-34(29,30)31/h10-13,18-19H,4-9,14H2,1-3H3,(H,23,27)(H,24,28)(H2,29,30,31)/t18-,19-/m0/s1
Affinity DataIC50: 2.50E+4nMAssay Description:Binding affinity against Src-homology 2 (SRC SH2).More data for this Ligand-Target Pair
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
ARIAD Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50080173((S)-4-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(O)=O)c1nc(CC2CCCCC2)cs1
Show InChI InChI=1S/C25H34N3O8PS/c1-16(29)26-22(14-18-7-9-20(10-8-18)36-37(33,34)35)24(32)28-21(11-12-23(30)31)25-27-19(15-38-25)13-17-5-3-2-4-6-17/h7-10,15,17,21-22H,2-6,11-14H2,1H3,(H,26,29)(H,28,32)(H,30,31)(H2,33,34,35)/t21-,22-/m0/s1
Affinity DataIC50: 2.60E+4nMAssay Description:Binding affinity against Src-homology 2 (SRC SH2).More data for this Ligand-Target Pair
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
ARIAD Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50080174((S)-4-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(O)=O)c1nc(CC2CCCCC2)no1
Show InChI InChI=1S/C24H33N4O9P/c1-15(29)25-20(13-17-7-9-18(10-8-17)37-38(33,34)35)23(32)26-19(11-12-22(30)31)24-27-21(28-36-24)14-16-5-3-2-4-6-16/h7-10,16,19-20H,2-6,11-14H2,1H3,(H,25,29)(H,26,32)(H,30,31)(H2,33,34,35)/t19-,20-/m0/s1
Affinity DataIC50: 2.90E+4nMAssay Description:Binding affinity against Src-homology 2 (SRC SH2).More data for this Ligand-Target Pair
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
ARIAD Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50080189(CHEMBL76076 | Phosphoric acid mono-[4-((S)-2-acety...)
Show SMILES CC(C)CCc1noc(n1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O
Show InChI InChI=1S/C28H34N5O7P/c1-17(2)8-13-26-32-28(39-33-26)25(15-20-16-29-23-7-5-4-6-22(20)23)31-27(35)24(30-18(3)34)14-19-9-11-21(12-10-19)40-41(36,37)38/h4-7,9-12,16-17,24-25,29H,8,13-15H2,1-3H3,(H,30,34)(H,31,35)(H2,36,37,38)/t24-,25-/m0/s1
Affinity DataIC50: 3.30E+4nMAssay Description:Binding affinity against Src-homology 2 (SRC SH2).More data for this Ligand-Target Pair
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
ARIAD Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50080199(CHEMBL422240 | Phosphoric acid mono-(4-{(S)-2-acet...)
Show SMILES CCCCCCCc1noc(n1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O
Show InChI InChI=1S/C30H38N5O7P/c1-3-4-5-6-7-12-28-34-30(41-35-28)27(18-22-19-31-25-11-9-8-10-24(22)25)33-29(37)26(32-20(2)36)17-21-13-15-23(16-14-21)42-43(38,39)40/h8-11,13-16,19,26-27,31H,3-7,12,17-18H2,1-2H3,(H,32,36)(H,33,37)(H2,38,39,40)/t26-,27-/m0/s1
Affinity DataIC50: 3.50E+4nMAssay Description:Binding affinity against Src-homology 2 (SRC SH2).More data for this Ligand-Target Pair
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
ARIAD Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50080201(CHEMBL420941 | Phosphoric acid mono-(4-{(S)-2-acet...)
Show SMILES CCCCCc1noc(n1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O
Show InChI InChI=1S/C28H34N5O7P/c1-3-4-5-10-26-32-28(39-33-26)25(16-20-17-29-23-9-7-6-8-22(20)23)31-27(35)24(30-18(2)34)15-19-11-13-21(14-12-19)40-41(36,37)38/h6-9,11-14,17,24-25,29H,3-5,10,15-16H2,1-2H3,(H,30,34)(H,31,35)(H2,36,37,38)/t24-,25-/m0/s1
Affinity DataIC50: 3.60E+4nMAssay Description:Binding affinity against Src-homology 2 (SRC SH2).More data for this Ligand-Target Pair
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
ARIAD Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50080192((S)-4-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)...)
Show SMILES CC(C)CCc1noc(n1)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O
Show InChI InChI=1S/C22H31N4O9P/c1-13(2)4-10-19-25-22(34-26-19)17(9-11-20(28)29)24-21(30)18(23-14(3)27)12-15-5-7-16(8-6-15)35-36(31,32)33/h5-8,13,17-18H,4,9-12H2,1-3H3,(H,23,27)(H,24,30)(H,28,29)(H2,31,32,33)/t17-,18-/m0/s1
Affinity DataIC50: 6.10E+4nMAssay Description:Binding affinity against Src-homology 2 (SRC SH2).More data for this Ligand-Target Pair
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
ARIAD Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50080175(CHEMBL310193 | 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](Cc1c[nH]c2ccccc12)c1nc(CC2CCCCC2)no1
Show InChI InChI=1S/C30H36N5O7P/c1-19(36)32-26(15-21-11-13-23(14-12-21)42-43(38,39)40)29(37)33-27(17-22-18-31-25-10-6-5-9-24(22)25)30-34-28(35-41-30)16-20-7-3-2-4-8-20/h5-6,9-14,18,20,26-27,31H,2-4,7-8,15-17H2,1H3,(H,32,36)(H,33,37)(H2,38,39,40)/t26-,27-/m0/s1
Affinity DataIC50: 6.20E+4nMAssay Description:Binding affinity against Src-homology 2 (SRC SH2).More data for this Ligand-Target Pair
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
ARIAD Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50080184(CHEMBL311370 | Phosphoric acid mono-(4-{(S)-2-acet...)
Show SMILES CCCCCc1noc(n1)[C@H](CC)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O
Show InChI InChI=1S/C21H31N4O7P/c1-4-6-7-8-19-24-21(31-25-19)17(5-2)23-20(27)18(22-14(3)26)13-15-9-11-16(12-10-15)32-33(28,29)30/h9-12,17-18H,4-8,13H2,1-3H3,(H,22,26)(H,23,27)(H2,28,29,30)/t17-,18-/m0/s1
Affinity DataIC50: 6.50E+4nMAssay Description:Binding affinity against Src-homology 2 (SRC SH2).More data for this Ligand-Target Pair
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
ARIAD Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM5092(1,2,4-Oxadiazole Analogue 4a | 4-[(2S)-2-{[(1S)-1-...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(N)=O)c1nc(Cc2ccccc2)no1
Show InChI InChI=1S/C24H28N5O8P/c1-15(30)26-20(13-17-7-9-18(10-8-17)37-38(33,34)35)23(32)27-19(11-12-21(25)31)24-28-22(29-36-24)14-16-5-3-2-4-6-16/h2-10,19-20H,11-14H2,1H3,(H2,25,31)(H,26,30)(H,27,32)(H2,33,34,35)/t19-,20-/m0/s1
Affinity DataIC50: 7.20E+4nMAssay Description:Binding affinity against Src-homology 2 (SRC SH2).More data for this Ligand-Target Pair
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
ARIAD Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50080202((S)-4-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)...)
Show SMILES CC(C)CCc1csc(n1)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O
Show InChI InChI=1S/C23H32N3O8PS/c1-14(2)4-7-17-13-36-23(25-17)19(10-11-21(28)29)26-22(30)20(24-15(3)27)12-16-5-8-18(9-6-16)34-35(31,32)33/h5-6,8-9,13-14,19-20H,4,7,10-12H2,1-3H3,(H,24,27)(H,26,30)(H,28,29)(H2,31,32,33)/t19-,20-/m0/s1
Affinity DataIC50: 7.60E+4nMAssay Description:Binding affinity against Src-homology 2 (SRC SH2).More data for this Ligand-Target Pair
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
ARIAD Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50080203(CHEMBL405008 | Phosphoric acid mono-[4-((S)-2-acet...)
Show SMILES CC(C)CCCc1noc(n1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O
Show InChI InChI=1S/C29H36N5O7P/c1-18(2)7-6-10-27-33-29(40-34-27)26(16-21-17-30-24-9-5-4-8-23(21)24)32-28(36)25(31-19(3)35)15-20-11-13-22(14-12-20)41-42(37,38)39/h4-5,8-9,11-14,17-18,25-26,30H,6-7,10,15-16H2,1-3H3,(H,31,35)(H,32,36)(H2,37,38,39)/t25-,26-/m0/s1
Affinity DataIC50: 8.90E+4nMAssay Description:Binding affinity against Src-homology 2 (SRC SH2).More data for this Ligand-Target Pair
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
ARIAD Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50080190((S)-4-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(O)=O)c1nc(Cc2ccccc2)no1
Show InChI InChI=1S/C24H27N4O9P/c1-15(29)25-20(13-17-7-9-18(10-8-17)37-38(33,34)35)23(32)26-19(11-12-22(30)31)24-27-21(28-36-24)14-16-5-3-2-4-6-16/h2-10,19-20H,11-14H2,1H3,(H,25,29)(H,26,32)(H,30,31)(H2,33,34,35)/t19-,20-/m0/s1
Affinity DataIC50: 9.20E+4nMAssay Description:Binding affinity against Src-homology 2 (SRC SH2).More data for this Ligand-Target Pair
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
ARIAD Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50080188(CHEMBL76812 | Phosphoric acid mono-[4-((S)-2-acety...)
Show SMILES CC[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O)c1nc(CCC(C)C)no1
Show InChI InChI=1S/C21H31N4O7P/c1-5-17(21-24-19(25-31-21)11-6-13(2)3)23-20(27)18(22-14(4)26)12-15-7-9-16(10-8-15)32-33(28,29)30/h7-10,13,17-18H,5-6,11-12H2,1-4H3,(H,22,26)(H,23,27)(H2,28,29,30)/t17-,18-/m0/s1
Affinity DataIC50: 1.11E+5nMAssay Description:Binding affinity against Src-homology 2 (SRC SH2).More data for this Ligand-Target Pair
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
ARIAD Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM5063(1,2,4-Oxadiazole Analogue 4i | 4-[(2S)-2-{[(1S)-3-...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(N)=O)c1nc(Cc2cccc3ccccc23)no1
Show InChI InChI=1S/C28H30N5O8P/c1-17(34)30-24(15-18-9-11-21(12-10-18)41-42(37,38)39)27(36)31-23(13-14-25(29)35)28-32-26(33-40-28)16-20-7-4-6-19-5-2-3-8-22(19)20/h2-12,23-24H,13-16H2,1H3,(H2,29,35)(H,30,34)(H,31,36)(H2,37,38,39)/t23-,24-/m0/s1
Affinity DataIC50: 1.35E+5nMAssay Description:Binding affinity against Src-homology 2 (SRC SH2).More data for this Ligand-Target Pair
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
ARIAD Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM5064(1,2,4-Oxadiazole Analogue 4k | 4-[(2S)-2-{[(1S)-3-...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](CCC(N)=O)c1nc(CCc2ccccc2)no1
Show InChI InChI=1S/C25H30N5O8P/c1-16(31)27-21(15-18-7-10-19(11-8-18)38-39(34,35)36)24(33)28-20(12-13-22(26)32)25-29-23(30-37-25)14-9-17-5-3-2-4-6-17/h2-8,10-11,20-21H,9,12-15H2,1H3,(H2,26,32)(H,27,31)(H,28,33)(H2,34,35,36)/t20-,21-/m0/s1
Affinity DataIC50: 1.56E+5nMAssay Description:Binding affinity against Src-homology 2 (SRC SH2).More data for this Ligand-Target Pair
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
ARIAD Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50080178((S)-4-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)...)
Show SMILES CC(C)Cc1noc(n1)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O
Show InChI InChI=1S/C21H29N4O9P/c1-12(2)10-18-24-21(33-25-18)16(8-9-19(27)28)23-20(29)17(22-13(3)26)11-14-4-6-15(7-5-14)34-35(30,31)32/h4-7,12,16-17H,8-11H2,1-3H3,(H,22,26)(H,23,29)(H,27,28)(H2,30,31,32)/t16-,17-/m0/s1
Affinity DataIC50: 1.66E+5nMAssay Description:Binding affinity against Src-homology 2 (SRC SH2).More data for this Ligand-Target Pair
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
ARIAD Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50080185((S)-4-[(S)-2-Acetylamino-3-(4-phosphonooxy-phenyl)...)
Show SMILES CC(C)Cc1csc(n1)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O
Show InChI InChI=1S/C22H30N3O8PS/c1-13(2)10-16-12-35-22(24-16)18(8-9-20(27)28)25-21(29)19(23-14(3)26)11-15-4-6-17(7-5-15)33-34(30,31)32/h4-7,12-13,18-19H,8-11H2,1-3H3,(H,23,26)(H,25,29)(H,27,28)(H2,30,31,32)/t18-,19-/m0/s1
Affinity DataIC50: 2.18E+5nMAssay Description:Binding affinity against Src-homology 2 (SRC SH2).More data for this Ligand-Target Pair
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
ARIAD Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50080176(CHEMBL263245 | 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](Cc1c[nH]c2ccccc12)c1nc(Cc2cccc3ccccc23)no1
Show InChI InChI=1S/C34H32N5O7P/c1-21(40)36-30(17-22-13-15-26(16-14-22)46-47(42,43)44)33(41)37-31(18-25-20-35-29-12-5-4-11-28(25)29)34-38-32(39-45-34)19-24-9-6-8-23-7-2-3-10-27(23)24/h2-16,20,30-31,35H,17-19H2,1H3,(H,36,40)(H,37,41)(H2,42,43,44)/t30-,31-/m0/s1
Affinity DataIC50: 2.79E+5nMAssay Description:Binding affinity against Src-homology 2 (SRC SH2).More data for this Ligand-Target Pair
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
ARIAD Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50080194(CHEMBL76201 | Phosphoric acid mono-[4-((S)-2-acety...)
Show SMILES CC(C)CCc1noc(n1)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O
Show InChI InChI=1S/C22H32N5O8P/c1-13(2)4-11-20-26-22(34-27-20)17(9-10-19(23)29)25-21(30)18(24-14(3)28)12-15-5-7-16(8-6-15)35-36(31,32)33/h5-8,13,17-18H,4,9-12H2,1-3H3,(H2,23,29)(H,24,28)(H,25,30)(H2,31,32,33)/t17-,18-/m0/s1
Affinity DataIC50: 3.20E+5nMAssay Description:Binding affinity against Src-homology 2 (SRC SH2).More data for this Ligand-Target Pair
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
ARIAD Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50080191(CHEMBL75974 | Phosphoric acid mono-(4-{(S)-2-acety...)
Show SMILES CCCCc1noc(n1)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(C)=O
Show InChI InChI=1S/C21H30N5O8P/c1-3-4-5-19-25-21(33-26-19)16(10-11-18(22)28)24-20(29)17(23-13(2)27)12-14-6-8-15(9-7-14)34-35(30,31)32/h6-9,16-17H,3-5,10-12H2,1-2H3,(H2,22,28)(H,23,27)(H,24,29)(H2,30,31,32)/t16-,17-/m0/s1
Affinity DataIC50: 3.84E+5nMAssay Description:Binding affinity against Src-homology 2 (SRC SH2).More data for this Ligand-Target Pair
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
ARIAD Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50080169(CHEMBL76625 | Phosphoric acid mono-(4-{(S)-2-acety...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)NCc1nc(CC2CCCCC2)cs1
Show InChI InChI=1S/C22H30N3O6PS/c1-15(26)24-20(12-17-7-9-19(10-8-17)31-32(28,29)30)22(27)23-13-21-25-18(14-33-21)11-16-5-3-2-4-6-16/h7-10,14,16,20H,2-6,11-13H2,1H3,(H,23,27)(H,24,26)(H2,28,29,30)/t20-/m0/s1
Affinity DataIC50: 4.83E+5nMAssay Description:Binding affinity against Src-homology 2 (SRC SH2).More data for this Ligand-Target Pair
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
ARIAD Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50080200(CHEMBL80769 | Phosphoric acid mono-(4-{(S)-2-acety...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)NCc1nc(CC2CCCCC2)no1
Show InChI InChI=1S/C21H29N4O7P/c1-14(26)23-18(11-16-7-9-17(10-8-16)32-33(28,29)30)21(27)22-13-20-24-19(25-31-20)12-15-5-3-2-4-6-15/h7-10,15,18H,2-6,11-13H2,1H3,(H,22,27)(H,23,26)(H2,28,29,30)/t18-/m0/s1
Affinity DataIC50: 8.96E+5nMAssay Description:Binding affinity against Src-homology 2 (SRC SH2).More data for this Ligand-Target Pair
TargetProto-oncogene tyrosine-protein kinase Src(Homo sapiens (Human))
ARIAD Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50080182(CHEMBL75868 | 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](CCC(N)=O)c1nc(CC2CCCCC2)no1
Show InChI InChI=1S/C24H34N5O8P/c1-15(30)26-20(13-17-7-9-18(10-8-17)37-38(33,34)35)23(32)27-19(11-12-21(25)31)24-28-22(29-36-24)14-16-5-3-2-4-6-16/h7-10,16,19-20H,2-6,11-14H2,1H3,(H2,25,31)(H,26,30)(H,27,32)(H2,33,34,35)/t19-,20-/m0/s1
Affinity DataIC50: 2.78E+6nMAssay Description:Binding affinity against Src-homology 2 (SRC SH2).More data for this Ligand-Target Pair