Compile Data Set for Download or QSAR
Found 43 Enz. Inhib. hit(s) with all data for entry = 50047282
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM50157303(CHEMBL3785774)
Show SMILES COc1cc2c(CC\C(=N/N3CCN(C)CC3)C2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C31H40ClN7O3S/c1-20(2)43(40,41)27-10-8-7-9-24(27)34-29-23(32)19-33-30(36-29)35-25-17-21-11-12-28(37-39-15-13-38(5)14-16-39)31(3,4)22(21)18-26(25)42-6/h7-10,17-20H,11-16H2,1-6H3,(H2,33,34,35,36)/b37-28+
Affinity DataIC50: 0.5nMAssay Description:Inhibition of wild type ALK (unknown origin) after 30 mins by HTRF assayMore data for this Ligand-Target Pair
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM50157313(CHEMBL3786892)
Show SMILES COc1cc2c(CCC(N)C2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C26H32ClN5O3S/c1-15(2)36(33,34)22-9-7-6-8-19(22)30-24-18(27)14-29-25(32-24)31-20-12-16-10-11-23(28)26(3,4)17(16)13-21(20)35-5/h6-9,12-15,23H,10-11,28H2,1-5H3,(H2,29,30,31,32)
Affinity DataIC50: 0.700nMAssay Description:Inhibition of wild type ALK (unknown origin) after 30 mins by HTRF assayMore data for this Ligand-Target Pair
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM50157313(CHEMBL3786892)
Show SMILES COc1cc2c(CCC(N)C2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C26H32ClN5O3S/c1-15(2)36(33,34)22-9-7-6-8-19(22)30-24-18(27)14-29-25(32-24)31-20-12-16-10-11-23(28)26(3,4)17(16)13-21(20)35-5/h6-9,12-15,23H,10-11,28H2,1-5H3,(H2,29,30,31,32)
Affinity DataIC50: 1.5nMAssay Description:Inhibition of ALK L1196M mutant (unknown origin) after 30 mins by HTRF assayMore data for this Ligand-Target Pair
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM50157538(CHEMBL3785299)
Show SMILES COc1cc2c(CCC(NC(=O)CN(C)C)C2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C30H39ClN6O4S/c1-18(2)42(39,40)25-11-9-8-10-22(25)33-28-21(31)16-32-29(36-28)34-23-14-19-12-13-26(35-27(38)17-37(5)6)30(3,4)20(19)15-24(23)41-7/h8-11,14-16,18,26H,12-13,17H2,1-7H3,(H,35,38)(H2,32,33,34,36)
Affinity DataIC50: 3.60nMAssay Description:Inhibition of ALK L1196M mutant (unknown origin) after 30 mins by HTRF assayMore data for this Ligand-Target Pair
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM50157538(CHEMBL3785299)
Show SMILES COc1cc2c(CCC(NC(=O)CN(C)C)C2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C30H39ClN6O4S/c1-18(2)42(39,40)25-11-9-8-10-22(25)33-28-21(31)16-32-29(36-28)34-23-14-19-12-13-26(35-27(38)17-37(5)6)30(3,4)20(19)15-24(23)41-7/h8-11,14-16,18,26H,12-13,17H2,1-7H3,(H,35,38)(H2,32,33,34,36)
Affinity DataIC50: 4.20nMAssay Description:Inhibition of wild type ALK (unknown origin) after 30 mins by HTRF assayMore data for this Ligand-Target Pair
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM50157534(CHEMBL3786402)
Show SMILES COc1cc2c(CCC(NC(=O)CO)C2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C28H34ClN5O5S/c1-16(2)40(37,38)23-9-7-6-8-20(23)31-26-19(29)14-30-27(34-26)32-21-12-17-10-11-24(33-25(36)15-35)28(3,4)18(17)13-22(21)39-5/h6-9,12-14,16,24,35H,10-11,15H2,1-5H3,(H,33,36)(H2,30,31,32,34)
Affinity DataIC50: 6.10nMAssay Description:Inhibition of wild type ALK (unknown origin) after 30 mins by HTRF assayMore data for this Ligand-Target Pair
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM50157303(CHEMBL3785774)
Show SMILES COc1cc2c(CC\C(=N/N3CCN(C)CC3)C2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C31H40ClN7O3S/c1-20(2)43(40,41)27-10-8-7-9-24(27)34-29-23(32)19-33-30(36-29)35-25-17-21-11-12-28(37-39-15-13-38(5)14-16-39)31(3,4)22(21)18-26(25)42-6/h7-10,17-20H,11-16H2,1-6H3,(H2,33,34,35,36)/b37-28+
Affinity DataIC50: 8.40nMAssay Description:Inhibition of ALK L1196M mutant (unknown origin) after 30 mins by HTRF assayMore data for this Ligand-Target Pair
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM50157534(CHEMBL3786402)
Show SMILES COc1cc2c(CCC(NC(=O)CO)C2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C28H34ClN5O5S/c1-16(2)40(37,38)23-9-7-6-8-20(23)31-26-19(29)14-30-27(34-26)32-21-12-17-10-11-24(33-25(36)15-35)28(3,4)18(17)13-22(21)39-5/h6-9,12-14,16,24,35H,10-11,15H2,1-5H3,(H,33,36)(H2,30,31,32,34)
Affinity DataIC50: 9.90nMAssay Description:Inhibition of ALK L1196M mutant (unknown origin) after 30 mins by HTRF assayMore data for this Ligand-Target Pair
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM50436850(CERITINIB | CHEMBL2403108 | LDK378 | US10053458, C...)
Show SMILES CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C28H36ClN5O3S/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34)
Affinity DataIC50: 14nMAssay Description:Inhibition of wild type ALK (unknown origin) after 30 mins by HTRF assayMore data for this Ligand-Target Pair
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM50157326(CHEMBL3785115)
Show SMILES COc1cc2CC\C(=N/NC(N)=O)C(C)(C)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C27H32ClN7O4S/c1-15(2)40(37,38)22-9-7-6-8-19(22)31-24-18(28)14-30-26(33-24)32-20-13-17-16(12-21(20)39-5)10-11-23(27(17,3)4)34-35-25(29)36/h6-9,12-15H,10-11H2,1-5H3,(H3,29,35,36)(H2,30,31,32,33)/b34-23+
Affinity DataIC50: 16nMAssay Description:Inhibition of wild type ALK (unknown origin) after 30 mins by HTRF assayMore data for this Ligand-Target Pair
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM50157336(CHEMBL3785093)
Show SMILES COc1cc2CC\C(=N/NC(N)=N)C(C)(C)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C22H29N5O/c23-20-3-1-2-4-21(20)26-10-7-16(8-11-26)15-28-19-6-5-17-9-12-27(22(24)25)14-18(17)13-19/h1-6,13,16H,7-12,14-15,23H2,(H3,24,25)
Affinity DataIC50: 16nMAssay Description:Inhibition of wild type ALK (unknown origin) after 30 mins by HTRF assayMore data for this Ligand-Target Pair
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM50157529(CHEMBL3786763)
Show SMILES COc1cc2c(CC\C(=N/NC(N)=N)C2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C27H33ClN8O3S/c1-15(2)40(37,38)22-9-7-6-8-19(22)32-24-18(28)14-31-26(34-24)33-20-12-16-10-11-23(35-36-25(29)30)27(3,4)17(16)13-21(20)39-5/h6-9,12-15H,10-11H2,1-5H3,(H4,29,30,36)(H2,31,32,33,34)/b35-23+
Affinity DataIC50: 18nMAssay Description:Inhibition of wild type ALK (unknown origin) after 30 mins by HTRF assayMore data for this Ligand-Target Pair
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM50157527(CHEMBL3785497)
Show SMILES COc1cc2c(CC\C(=N/NC(C)=O)C2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C28H33ClN6O4S/c1-16(2)40(37,38)24-10-8-7-9-21(24)31-26-20(29)15-30-27(33-26)32-22-13-18-11-12-25(35-34-17(3)36)28(4,5)19(18)14-23(22)39-6/h7-10,13-16H,11-12H2,1-6H3,(H,34,36)(H2,30,31,32,33)/b35-25+
Affinity DataIC50: 21nMAssay Description:Inhibition of wild type ALK (unknown origin) after 30 mins by HTRF assayMore data for this Ligand-Target Pair
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM50157319(CHEMBL3786270)
Show SMILES COc1cc2c(CCC(O)C2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C26H31ClN4O4S/c1-15(2)36(33,34)22-9-7-6-8-19(22)29-24-18(27)14-28-25(31-24)30-20-12-16-10-11-23(32)26(3,4)17(16)13-21(20)35-5/h6-9,12-15,23,32H,10-11H2,1-5H3,(H2,28,29,30,31)
Affinity DataIC50: 21nMAssay Description:Inhibition of wild type ALK (unknown origin) after 30 mins by HTRF assayMore data for this Ligand-Target Pair
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM50157533(CHEMBL3786431)
Show SMILES COc1cc2CCC(N)C(C)(C)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C26H32ClN5O3S/c1-15(2)36(33,34)22-9-7-6-8-19(22)30-24-18(27)14-29-25(32-24)31-20-13-17-16(12-21(20)35-5)10-11-23(28)26(17,3)4/h6-9,12-15,23H,10-11,28H2,1-5H3,(H2,29,30,31,32)
Affinity DataIC50: 27nMAssay Description:Inhibition of wild type ALK (unknown origin) after 30 mins by HTRF assayMore data for this Ligand-Target Pair
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM50157528(CHEMBL3786127)
Show SMILES COc1cc2c(CC\C(=N/NC(N)=O)C2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C27H32ClN7O4S/c1-15(2)40(37,38)22-9-7-6-8-19(22)31-24-18(28)14-30-26(33-24)32-20-12-16-10-11-23(34-35-25(29)36)27(3,4)17(16)13-21(20)39-5/h6-9,12-15H,10-11H2,1-5H3,(H3,29,35,36)(H2,30,31,32,33)/b34-23+
Affinity DataIC50: 29nMAssay Description:Inhibition of wild type ALK (unknown origin) after 30 mins by HTRF assayMore data for this Ligand-Target Pair
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM50436850(CERITINIB | CHEMBL2403108 | LDK378 | US10053458, C...)
Show SMILES CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C28H36ClN5O3S/c1-17(2)37-25-15-21(20-10-12-30-13-11-20)19(5)14-24(25)33-28-31-16-22(29)27(34-28)32-23-8-6-7-9-26(23)38(35,36)18(3)4/h6-9,14-18,20,30H,10-13H2,1-5H3,(H2,31,32,33,34)
Affinity DataIC50: 29nMAssay Description:Inhibition of ALK L1196M mutant (unknown origin) after 30 mins by HTRF assayMore data for this Ligand-Target Pair
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM50157318(CHEMBL3785322)
Show SMILES COc1cc2CCC(O)C(C)(C)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C26H31ClN4O4S/c1-15(2)36(33,34)22-9-7-6-8-19(22)29-24-18(27)14-28-25(31-24)30-20-13-17-16(12-21(20)35-5)10-11-23(32)26(17,3)4/h6-9,12-15,23,32H,10-11H2,1-5H3,(H2,28,29,30,31)
Affinity DataIC50: 34nMAssay Description:Inhibition of wild type ALK (unknown origin) after 30 mins by HTRF assayMore data for this Ligand-Target Pair
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM50157529(CHEMBL3786763)
Show SMILES COc1cc2c(CC\C(=N/NC(N)=N)C2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C27H33ClN8O3S/c1-15(2)40(37,38)22-9-7-6-8-19(22)32-24-18(28)14-31-26(34-24)33-20-12-16-10-11-23(35-36-25(29)30)27(3,4)17(16)13-21(20)39-5/h6-9,12-15H,10-11H2,1-5H3,(H4,29,30,36)(H2,31,32,33,34)/b35-23+
Affinity DataIC50: 37nMAssay Description:Inhibition of ALK L1196M mutant (unknown origin) after 30 mins by HTRF assayMore data for this Ligand-Target Pair
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM50157530(CHEMBL3785538)
Show SMILES COc1cc2c(CC\C(=N/N3CCOCC3)C2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C30H37ClN6O4S/c1-19(2)42(38,39)26-9-7-6-8-23(26)33-28-22(31)18-32-29(35-28)34-24-16-20-10-11-27(36-37-12-14-41-15-13-37)30(3,4)21(20)17-25(24)40-5/h6-9,16-19H,10-15H2,1-5H3,(H2,32,33,34,35)/b36-27+
Affinity DataIC50: 40nMAssay Description:Inhibition of wild type ALK (unknown origin) after 30 mins by HTRF assayMore data for this Ligand-Target Pair
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM50157527(CHEMBL3785497)
Show SMILES COc1cc2c(CC\C(=N/NC(C)=O)C2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C28H33ClN6O4S/c1-16(2)40(37,38)24-10-8-7-9-21(24)31-26-20(29)15-30-27(33-26)32-22-13-18-11-12-25(35-34-17(3)36)28(4,5)19(18)14-23(22)39-6/h7-10,13-16H,11-12H2,1-6H3,(H,34,36)(H2,30,31,32,33)/b35-25+
Affinity DataIC50: 40nMAssay Description:Inhibition of ALK L1196M mutant (unknown origin) after 30 mins by HTRF assayMore data for this Ligand-Target Pair
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM50157530(CHEMBL3785538)
Show SMILES COc1cc2c(CC\C(=N/N3CCOCC3)C2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C30H37ClN6O4S/c1-19(2)42(38,39)26-9-7-6-8-23(26)33-28-22(31)18-32-29(35-28)34-24-16-20-10-11-27(36-37-12-14-41-15-13-37)30(3,4)21(20)17-25(24)40-5/h6-9,16-19H,10-15H2,1-5H3,(H2,32,33,34,35)/b36-27+
Affinity DataIC50: 40nMAssay Description:Inhibition of ALK L1196M mutant (unknown origin) after 30 mins by HTRF assayMore data for this Ligand-Target Pair
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM50157528(CHEMBL3786127)
Show SMILES COc1cc2c(CC\C(=N/NC(N)=O)C2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C27H32ClN7O4S/c1-15(2)40(37,38)22-9-7-6-8-19(22)31-24-18(28)14-30-26(33-24)32-20-12-16-10-11-23(34-35-25(29)36)27(3,4)17(16)13-21(20)39-5/h6-9,12-15H,10-11H2,1-5H3,(H3,29,35,36)(H2,30,31,32,33)/b34-23+
Affinity DataIC50: 42nMAssay Description:Inhibition of ALK L1196M mutant (unknown origin) after 30 mins by HTRF assayMore data for this Ligand-Target Pair
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM50157317(CHEMBL3787539)
Show SMILES COc1cc2c(CCC(=O)C2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C26H29ClN4O4S/c1-15(2)36(33,34)22-9-7-6-8-19(22)29-24-18(27)14-28-25(31-24)30-20-12-16-10-11-23(32)26(3,4)17(16)13-21(20)35-5/h6-9,12-15H,10-11H2,1-5H3,(H2,28,29,30,31)
Affinity DataIC50: 43nMAssay Description:Inhibition of wild type ALK (unknown origin) after 30 mins by HTRF assayMore data for this Ligand-Target Pair
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM50157344(CHEMBL3786792)
Show SMILES COc1cc2CC\C(=N/N3CCN(C)CC3)C(C)(C)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C22H29N5O/c23-19-2-1-3-20(13-19)26-9-6-16(7-10-26)15-28-21-5-4-17-8-11-27(22(24)25)14-18(17)12-21/h1-5,12-13,16H,6-11,14-15,23H2,(H3,24,25)
Affinity DataIC50: 44nMAssay Description:Inhibition of wild type ALK (unknown origin) after 30 mins by HTRF assayMore data for this Ligand-Target Pair
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM50157323(CHEMBL3787262)
Show SMILES COc1cc2CC\C(=N/NC(C)=O)C(C)(C)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C28H33ClN6O4S/c1-16(2)40(37,38)24-10-8-7-9-21(24)31-26-20(29)15-30-27(33-26)32-22-14-19-18(13-23(22)39-6)11-12-25(28(19,4)5)35-34-17(3)36/h7-10,13-16H,11-12H2,1-6H3,(H,34,36)(H2,30,31,32,33)/b35-25+
Affinity DataIC50: 52nMAssay Description:Inhibition of wild type ALK (unknown origin) after 30 mins by HTRF assayMore data for this Ligand-Target Pair
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM50157319(CHEMBL3786270)
Show SMILES COc1cc2c(CCC(O)C2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C26H31ClN4O4S/c1-15(2)36(33,34)22-9-7-6-8-19(22)29-24-18(27)14-28-25(31-24)30-20-12-16-10-11-23(32)26(3,4)17(16)13-21(20)35-5/h6-9,12-15,23,32H,10-11H2,1-5H3,(H2,28,29,30,31)
Affinity DataIC50: 56nMAssay Description:Inhibition of ALK L1196M mutant (unknown origin) after 30 mins by HTRF assayMore data for this Ligand-Target Pair
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM50157533(CHEMBL3786431)
Show SMILES COc1cc2CCC(N)C(C)(C)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C26H32ClN5O3S/c1-15(2)36(33,34)22-9-7-6-8-19(22)30-24-18(27)14-29-25(32-24)31-20-13-17-16(12-21(20)35-5)10-11-23(28)26(17,3)4/h6-9,12-15,23H,10-11,28H2,1-5H3,(H2,29,30,31,32)
Affinity DataIC50: 94nMAssay Description:Inhibition of ALK L1196M mutant (unknown origin) after 30 mins by HTRF assayMore data for this Ligand-Target Pair
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM50157326(CHEMBL3785115)
Show SMILES COc1cc2CC\C(=N/NC(N)=O)C(C)(C)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C27H32ClN7O4S/c1-15(2)40(37,38)22-9-7-6-8-19(22)31-24-18(28)14-30-26(33-24)32-20-13-17-16(12-21(20)39-5)10-11-23(27(17,3)4)34-35-25(29)36/h6-9,12-15H,10-11H2,1-5H3,(H3,29,35,36)(H2,30,31,32,33)/b34-23+
Affinity DataIC50: 97nMAssay Description:Inhibition of ALK L1196M mutant (unknown origin) after 30 mins by HTRF assayMore data for this Ligand-Target Pair
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM50157336(CHEMBL3785093)
Show SMILES COc1cc2CC\C(=N/NC(N)=N)C(C)(C)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C22H29N5O/c23-20-3-1-2-4-21(20)26-10-7-16(8-11-26)15-28-19-6-5-17-9-12-27(22(24)25)14-18(17)13-19/h1-6,13,16H,7-12,14-15,23H2,(H3,24,25)
Affinity DataIC50: 100nMAssay Description:Inhibition of ALK L1196M mutant (unknown origin) after 30 mins by HTRF assayMore data for this Ligand-Target Pair
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM50157318(CHEMBL3785322)
Show SMILES COc1cc2CCC(O)C(C)(C)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C26H31ClN4O4S/c1-15(2)36(33,34)22-9-7-6-8-19(22)29-24-18(27)14-28-25(31-24)30-20-13-17-16(12-21(20)35-5)10-11-23(32)26(17,3)4/h6-9,12-15,23,32H,10-11H2,1-5H3,(H2,28,29,30,31)
Affinity DataIC50: 109nMAssay Description:Inhibition of ALK L1196M mutant (unknown origin) after 30 mins by HTRF assayMore data for this Ligand-Target Pair
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM50157346(CHEMBL3785384)
Show SMILES COc1cc2CC\C(=N/N3CCOCC3)C(C)(C)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C30H37ClN6O4S/c1-19(2)42(38,39)26-9-7-6-8-23(26)33-28-22(31)18-32-29(35-28)34-24-17-21-20(16-25(24)40-5)10-11-27(30(21,3)4)36-37-12-14-41-15-13-37/h6-9,16-19H,10-15H2,1-5H3,(H2,32,33,34,35)/b36-27+
Affinity DataIC50: 122nMAssay Description:Inhibition of wild type ALK (unknown origin) after 30 mins by HTRF assayMore data for this Ligand-Target Pair
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM50157344(CHEMBL3786792)
Show SMILES COc1cc2CC\C(=N/N3CCN(C)CC3)C(C)(C)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C22H29N5O/c23-19-2-1-3-20(13-19)26-9-6-16(7-10-26)15-28-21-5-4-17-8-11-27(22(24)25)14-18(17)12-21/h1-5,12-13,16H,6-11,14-15,23H2,(H3,24,25)
Affinity DataIC50: 200nMAssay Description:Inhibition of ALK L1196M mutant (unknown origin) after 30 mins by HTRF assayMore data for this Ligand-Target Pair
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM50157323(CHEMBL3787262)
Show SMILES COc1cc2CC\C(=N/NC(C)=O)C(C)(C)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C28H33ClN6O4S/c1-16(2)40(37,38)24-10-8-7-9-21(24)31-26-20(29)15-30-27(33-26)32-22-14-19-18(13-23(22)39-6)11-12-25(28(19,4)5)35-34-17(3)36/h7-10,13-16H,11-12H2,1-6H3,(H,34,36)(H2,30,31,32,33)/b35-25+
Affinity DataIC50: 201nMAssay Description:Inhibition of ALK L1196M mutant (unknown origin) after 30 mins by HTRF assayMore data for this Ligand-Target Pair
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM50157317(CHEMBL3787539)
Show SMILES COc1cc2c(CCC(=O)C2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C26H29ClN4O4S/c1-15(2)36(33,34)22-9-7-6-8-19(22)29-24-18(27)14-28-25(31-24)30-20-12-16-10-11-23(32)26(3,4)17(16)13-21(20)35-5/h6-9,12-15H,10-11H2,1-5H3,(H2,28,29,30,31)
Affinity DataIC50: 207nMAssay Description:Inhibition of ALK L1196M mutant (unknown origin) after 30 mins by HTRF assayMore data for this Ligand-Target Pair
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM50157351(CHEMBL3785480)
Show SMILES COc1cc2c(CC\C(=N/O)C2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C26H30ClN5O4S/c1-15(2)37(34,35)22-9-7-6-8-19(22)29-24-18(27)14-28-25(31-24)30-20-12-16-10-11-23(32-33)26(3,4)17(16)13-21(20)36-5/h6-9,12-15,33H,10-11H2,1-5H3,(H2,28,29,30,31)/b32-23+
Affinity DataIC50: 212nMAssay Description:Inhibition of wild type ALK (unknown origin) after 30 mins by HTRF assayMore data for this Ligand-Target Pair
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM50157346(CHEMBL3785384)
Show SMILES COc1cc2CC\C(=N/N3CCOCC3)C(C)(C)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C30H37ClN6O4S/c1-19(2)42(38,39)26-9-7-6-8-23(26)33-28-22(31)18-32-29(35-28)34-24-17-21-20(16-25(24)40-5)10-11-27(30(21,3)4)36-37-12-14-41-15-13-37/h6-9,16-19H,10-15H2,1-5H3,(H2,32,33,34,35)/b36-27+
Affinity DataIC50: 222nMAssay Description:Inhibition of ALK L1196M mutant (unknown origin) after 30 mins by HTRF assayMore data for this Ligand-Target Pair
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM50157316(CHEMBL3787367)
Show SMILES COc1cc2CCC(=O)C(C)(C)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C26H29ClN4O4S/c1-15(2)36(33,34)22-9-7-6-8-19(22)29-24-18(27)14-28-25(31-24)30-20-13-17-16(12-21(20)35-5)10-11-23(32)26(17,3)4/h6-9,12-15H,10-11H2,1-5H3,(H2,28,29,30,31)
Affinity DataIC50: 342nMAssay Description:Inhibition of wild type ALK (unknown origin) after 30 mins by HTRF assayMore data for this Ligand-Target Pair
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM50157322(CHEMBL3786831)
Show SMILES COc1cc2CC\C(=N/O)C(C)(C)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C26H30ClN5O4S/c1-15(2)37(34,35)22-9-7-6-8-19(22)29-24-18(27)14-28-25(31-24)30-20-13-17-16(12-21(20)36-5)10-11-23(32-33)26(17,3)4/h6-9,12-15,33H,10-11H2,1-5H3,(H2,28,29,30,31)/b32-23+
Affinity DataIC50: 424nMAssay Description:Inhibition of wild type ALK (unknown origin) after 30 mins by HTRF assayMore data for this Ligand-Target Pair
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM50157322(CHEMBL3786831)
Show SMILES COc1cc2CC\C(=N/O)C(C)(C)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C26H30ClN5O4S/c1-15(2)37(34,35)22-9-7-6-8-19(22)29-24-18(27)14-28-25(31-24)30-20-13-17-16(12-21(20)36-5)10-11-23(32-33)26(17,3)4/h6-9,12-15,33H,10-11H2,1-5H3,(H2,28,29,30,31)/b32-23+
Affinity DataIC50: 600nMAssay Description:Inhibition of ALK L1196M mutant (unknown origin) after 30 mins by HTRF assayMore data for this Ligand-Target Pair
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM50157316(CHEMBL3787367)
Show SMILES COc1cc2CCC(=O)C(C)(C)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C26H29ClN4O4S/c1-15(2)36(33,34)22-9-7-6-8-19(22)29-24-18(27)14-28-25(31-24)30-20-13-17-16(12-21(20)35-5)10-11-23(32)26(17,3)4/h6-9,12-15H,10-11H2,1-5H3,(H2,28,29,30,31)
Affinity DataIC50: 1.38E+3nMAssay Description:Inhibition of ALK L1196M mutant (unknown origin) after 30 mins by HTRF assayMore data for this Ligand-Target Pair
Target1,3-beta-glucan synthase component GSC2(Saccharomyces cerevisiae)
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM50157303(CHEMBL3785774)
Show SMILES COc1cc2c(CC\C(=N/N3CCN(C)CC3)C2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C31H40ClN7O3S/c1-20(2)43(40,41)27-10-8-7-9-24(27)34-29-23(32)19-33-30(36-29)35-25-17-21-11-12-28(37-39-15-13-38(5)14-16-39)31(3,4)22(21)18-26(25)42-6/h7-10,17-20H,11-16H2,1-6H3,(H2,33,34,35,36)/b37-28+
Affinity DataIC50: 2.40E+4nMAssay Description:Inhibition of human ERG by patch clamp methodMore data for this Ligand-Target Pair
Target1,3-beta-glucan synthase component GSC2(Saccharomyces cerevisiae)
Chungbuk National University

Curated by ChEMBL
LigandPNGBDBM50157313(CHEMBL3786892)
Show SMILES COc1cc2c(CCC(N)C2(C)C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
Show InChI InChI=1S/C26H32ClN5O3S/c1-15(2)36(33,34)22-9-7-6-8-19(22)30-24-18(27)14-29-25(32-24)31-20-12-16-10-11-23(28)26(3,4)17(16)13-21(20)35-5/h6-9,12-15,23H,10-11,28H2,1-5H3,(H2,29,30,31,32)
Affinity DataIC50: 4.40E+4nMAssay Description:Inhibition of human ERG by patch clamp methodMore data for this Ligand-Target Pair