Compile Data Set for Download or QSAR
Found 50 Enz. Inhib. hit(s) with all data for entry = 50009053
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50524981(CHEMBL4562879)
Show SMILES C[C@H](Nc1ccc2ncc(-c3cc(C)n[nH]3)n2n1)c1ccc(F)cc1F
Show InChI InChI=1S/C18H16F2N6/c1-10-7-15(24-23-10)16-9-21-18-6-5-17(25-26(16)18)22-11(2)13-4-3-12(19)8-14(13)20/h3-9,11H,1-2H3,(H,22,25)(H,23,24)/t11-/m0/s1
Affinity DataIC50: 0.100nMAssay Description:Inhibition of N-terminal GST-tagged human TrkA kinase domain (436 to 790 residues) expressed in baculovirus expression system using biotin-poly-GT as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50524985(CHEMBL4460367)
Show SMILES C[C@H](Nc1ccc2c(cn(-c3cc(C)[nH]n3)c2n1)S(C)(=O)=O)c1ccc(F)cc1F
Show InChI InChI=1S/C20H19F2N5O2S/c1-11-8-19(26-25-11)27-10-17(30(3,28)29)15-6-7-18(24-20(15)27)23-12(2)14-5-4-13(21)9-16(14)22/h4-10,12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1
Affinity DataIC50: 1.20nMAssay Description:Inhibition of human ALK kinase domain (1058 to 1620 residues) expressed in baculovirus expression system using biotin-poly-GT as substrate pre-incuba...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50306682((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl
Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1
Affinity DataIC50: 1.80nMAssay Description:Inhibition of human ALK kinase domain (1058 to 1620 residues) expressed in baculovirus expression system using biotin-poly-GT as substrate pre-incuba...More data for this Ligand-Target Pair
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50524987(CHEMBL4516801)
Show SMILES C[C@H](Nc1ccc2c(cn(-c3cc(C)n[nH]3)c2n1)C(=O)N(C)C)c1ccc(F)cn1
Show InChI InChI=1S/C21H22FN7O/c1-12-9-19(27-26-12)29-11-16(21(30)28(3)4)15-6-8-18(25-20(15)29)24-13(2)17-7-5-14(22)10-23-17/h5-11,13H,1-4H3,(H,24,25)(H,26,27)/t13-/m0/s1
Affinity DataIC50: 1.80nMAssay Description:Inhibition of human ALK kinase domain (1058 to 1620 residues) expressed in baculovirus expression system using biotin-poly-GT as substrate pre-incuba...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50524983(CHEMBL4458269)
Show SMILES C[C@H](Nc1ccc2c(cn(-c3cc(C)n[nH]3)c2n1)C1=CCOCC1)c1ccc(F)cn1
Show InChI InChI=1S/C23H23FN6O/c1-14-11-22(29-28-14)30-13-19(16-7-9-31-10-8-16)18-4-6-21(27-23(18)30)26-15(2)20-5-3-17(24)12-25-20/h3-7,11-13,15H,8-10H2,1-2H3,(H,26,27)(H,28,29)/t15-/m0/s1
Affinity DataIC50: 1.90nMAssay Description:Inhibition of human ALK kinase domain (1058 to 1620 residues) expressed in baculovirus expression system using biotin-poly-GT as substrate pre-incuba...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50524981(CHEMBL4562879)
Show SMILES C[C@H](Nc1ccc2ncc(-c3cc(C)n[nH]3)n2n1)c1ccc(F)cc1F
Show InChI InChI=1S/C18H16F2N6/c1-10-7-15(24-23-10)16-9-21-18-6-5-17(25-26(16)18)22-11(2)13-4-3-12(19)8-14(13)20/h3-9,11H,1-2H3,(H,22,25)(H,23,24)/t11-/m0/s1
Affinity DataIC50: 2nMAssay Description:Inhibition of human ALK kinase domain (1058 to 1620 residues) expressed in baculovirus expression system using biotin-poly-GT as substrate pre-incuba...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50524980(CHEMBL4437605)
Show SMILES C[C@H](Nc1ccc2c(cn(-c3cc(C)n[nH]3)c2n1)C(=O)N1CCOCC1)c1ccc(F)cn1
Show InChI InChI=1S/C23H24FN7O2/c1-14-11-21(29-28-14)31-13-18(23(32)30-7-9-33-10-8-30)17-4-6-20(27-22(17)31)26-15(2)19-5-3-16(24)12-25-19/h3-6,11-13,15H,7-10H2,1-2H3,(H,26,27)(H,28,29)/t15-/m0/s1
Affinity DataIC50: 2.5nMAssay Description:Inhibition of human ALK kinase domain (1058 to 1620 residues) expressed in baculovirus expression system using biotin-poly-GT as substrate pre-incuba...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50524983(CHEMBL4458269)
Show SMILES C[C@H](Nc1ccc2c(cn(-c3cc(C)n[nH]3)c2n1)C1=CCOCC1)c1ccc(F)cn1
Show InChI InChI=1S/C23H23FN6O/c1-14-11-22(29-28-14)30-13-19(16-7-9-31-10-8-16)18-4-6-21(27-23(18)30)26-15(2)20-5-3-17(24)12-25-20/h3-7,11-13,15H,8-10H2,1-2H3,(H,26,27)(H,28,29)/t15-/m0/s1
Affinity DataIC50: 2.70nMAssay Description:Inhibition of N-terminal GST-tagged human TrkA kinase domain (436 to 790 residues) expressed in baculovirus expression system using biotin-poly-GT as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50524979(CHEMBL4440381)
Show SMILES C[C@H](Oc1ccc2c(cn(-c3cc(C)[nH]n3)c2n1)C(=O)N1CCO[C@@H](C)C1)c1ccc(F)cn1
Show InChI InChI=1S/C24H25FN6O3/c1-14-10-21(29-28-14)31-13-19(24(32)30-8-9-33-15(2)12-30)18-5-7-22(27-23(18)31)34-16(3)20-6-4-17(25)11-26-20/h4-7,10-11,13,15-16H,8-9,12H2,1-3H3,(H,28,29)/t15-,16-/m0/s1
Affinity DataIC50: 2.90nMAssay Description:Inhibition of human ALK kinase domain (1058 to 1620 residues) expressed in baculovirus expression system using biotin-poly-GT as substrate pre-incuba...More data for this Ligand-Target Pair
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50524984(CHEMBL4434659)
Show SMILES COCc1cn(-c2cc(C)n[nH]2)c2nc(OC(C)c3ccc(F)cn3)ccc12
Show InChI InChI=1S/C20H20FN5O2/c1-12-8-18(25-24-12)26-10-14(11-27-3)16-5-7-19(23-20(16)26)28-13(2)17-6-4-15(21)9-22-17/h4-10,13H,11H2,1-3H3,(H,24,25)
Affinity DataIC50: 3.20nMAssay Description:Inhibition of human ALK kinase domain (1058 to 1620 residues) expressed in baculovirus expression system using biotin-poly-GT as substrate pre-incuba...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50524989(CHEMBL4535072)
Show SMILES C[C@H](Nc1ccc2c(cn(-c3cc(C)[nH]n3)c2n1)S(C)(=O)=O)c1ccc(F)cn1
Show InChI InChI=1S/C19H19FN6O2S/c1-11-8-18(25-24-11)26-10-16(29(3,27)28)14-5-7-17(23-19(14)26)22-12(2)15-6-4-13(20)9-21-15/h4-10,12H,1-3H3,(H,22,23)(H,24,25)/t12-/m0/s1
Affinity DataIC50: 3.30nMAssay Description:Inhibition of human ALK kinase domain (1058 to 1620 residues) expressed in baculovirus expression system using biotin-poly-GT as substrate pre-incuba...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50524978(CHEMBL4573505)
Show SMILES C[C@@H](Oc1ccc2c(cn(-c3cc(C)n[nH]3)c2n1)C(=O)N1CCO[C@H](C)C1)c1ccc(F)cn1
Show InChI InChI=1S/C24H25FN6O3/c1-14-10-21(29-28-14)31-13-19(24(32)30-8-9-33-15(2)12-30)18-5-7-22(27-23(18)31)34-16(3)20-6-4-17(25)11-26-20/h4-7,10-11,13,15-16H,8-9,12H2,1-3H3,(H,28,29)/t15-,16-/m1/s1
Affinity DataIC50: 4.60nMAssay Description:Inhibition of human ALK kinase domain (1058 to 1620 residues) expressed in baculovirus expression system using biotin-poly-GT as substrate pre-incuba...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50524981(CHEMBL4562879)
Show SMILES C[C@H](Nc1ccc2ncc(-c3cc(C)n[nH]3)n2n1)c1ccc(F)cc1F
Show InChI InChI=1S/C18H16F2N6/c1-10-7-15(24-23-10)16-9-21-18-6-5-17(25-26(16)18)22-11(2)13-4-3-12(19)8-14(13)20/h3-9,11H,1-2H3,(H,22,25)(H,23,24)/t11-/m0/s1
Affinity DataIC50: 6nMAssay Description:Inhibition of recombinant human ALK expressed in HEK293 cells assessed as reduction in ALK autophosphorylation at Tyr1604 residue incubated for 60 mi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50524988(CHEMBL4586773)
Show SMILES C[C@H](Nc1ccc2c(cn(-c3cc(C)n[nH]3)c2n1)C(=O)N1CCN(C)CC1)c1ccc(F)cn1
Show InChI InChI=1S/C24H27FN8O/c1-15-12-22(30-29-15)33-14-19(24(34)32-10-8-31(3)9-11-32)18-5-7-21(28-23(18)33)27-16(2)20-6-4-17(25)13-26-20/h4-7,12-14,16H,8-11H2,1-3H3,(H,27,28)(H,29,30)/t16-/m0/s1
Affinity DataIC50: 6.10nMAssay Description:Inhibition of human ALK kinase domain (1058 to 1620 residues) expressed in baculovirus expression system using biotin-poly-GT as substrate pre-incuba...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50524975(CHEMBL4476859)
Show SMILES CC(Oc1ccc2c(cn(-c3cc(C)n[nH]3)c2n1)C(=O)N1CCOCC1)c1ccc(F)cn1
Show InChI InChI=1S/C23H23FN6O3/c1-14-11-20(28-27-14)30-13-18(23(31)29-7-9-32-10-8-29)17-4-6-21(26-22(17)30)33-15(2)19-5-3-16(24)12-25-19/h3-6,11-13,15H,7-10H2,1-2H3,(H,27,28)
Affinity DataIC50: 6.20nMAssay Description:Inhibition of human ALK kinase domain (1058 to 1620 residues) expressed in baculovirus expression system using biotin-poly-GT as substrate pre-incuba...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50524983(CHEMBL4458269)
Show SMILES C[C@H](Nc1ccc2c(cn(-c3cc(C)n[nH]3)c2n1)C1=CCOCC1)c1ccc(F)cn1
Show InChI InChI=1S/C23H23FN6O/c1-14-11-22(29-28-14)30-13-19(16-7-9-31-10-8-16)18-4-6-21(27-23(18)30)26-15(2)20-5-3-17(24)12-25-20/h3-7,11-13,15H,8-10H2,1-2H3,(H,26,27)(H,28,29)/t15-/m0/s1
Affinity DataIC50: 9.40nMAssay Description:Inhibition of recombinant human ALK expressed in HEK293 cells assessed as reduction in ALK autophosphorylation at Tyr1604 residue incubated for 60 mi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50524977(CHEMBL4443254)
Show SMILES CCS(=O)(=O)c1cn(-c2cc(C)[nH]n2)c2nc(N[C@@H](C)c3ccc(F)cn3)ccc12
Show InChI InChI=1S/C20H21FN6O2S/c1-4-30(28,29)17-11-27(19-9-12(2)25-26-19)20-15(17)6-8-18(24-20)23-13(3)16-7-5-14(21)10-22-16/h5-11,13H,4H2,1-3H3,(H,23,24)(H,25,26)/t13-/m0/s1
Affinity DataIC50: 9.60nMAssay Description:Inhibition of human ALK kinase domain (1058 to 1620 residues) expressed in baculovirus expression system using biotin-poly-GT as substrate pre-incuba...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50524982(CHEMBL4448434)
Show SMILES C[C@H](Nc1ccc2ccn(-c3cc(C)n[nH]3)c2n1)c1ccc(F)cc1F
Show InChI InChI=1S/C19H17F2N5/c1-11-9-18(25-24-11)26-8-7-13-3-6-17(23-19(13)26)22-12(2)15-5-4-14(20)10-16(15)21/h3-10,12H,1-2H3,(H,22,23)(H,24,25)/t12-/m0/s1
Affinity DataIC50: 10nMAssay Description:Inhibition of N-terminal GST-tagged human TrkA kinase domain (436 to 790 residues) expressed in baculovirus expression system using biotin-poly-GT as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50524984(CHEMBL4434659)
Show SMILES COCc1cn(-c2cc(C)n[nH]2)c2nc(OC(C)c3ccc(F)cn3)ccc12
Show InChI InChI=1S/C20H20FN5O2/c1-12-8-18(25-24-12)26-10-14(11-27-3)16-5-7-19(23-20(16)26)28-13(2)17-6-4-15(21)9-22-17/h4-10,13H,11H2,1-3H3,(H,24,25)
Affinity DataIC50: 10nMAssay Description:Inhibition of N-terminal GST-tagged human TrkA kinase domain (436 to 790 residues) expressed in baculovirus expression system using biotin-poly-GT as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50524989(CHEMBL4535072)
Show SMILES C[C@H](Nc1ccc2c(cn(-c3cc(C)[nH]n3)c2n1)S(C)(=O)=O)c1ccc(F)cn1
Show InChI InChI=1S/C19H19FN6O2S/c1-11-8-18(25-24-11)26-10-16(29(3,27)28)14-5-7-17(23-19(14)26)22-12(2)15-6-4-13(20)9-21-15/h4-10,12H,1-3H3,(H,22,23)(H,24,25)/t12-/m0/s1
Affinity DataIC50: 13nMAssay Description:Inhibition of recombinant human ALK expressed in HEK293 cells assessed as reduction in ALK autophosphorylation at Tyr1604 residue incubated for 60 mi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50524982(CHEMBL4448434)
Show SMILES C[C@H](Nc1ccc2ccn(-c3cc(C)n[nH]3)c2n1)c1ccc(F)cc1F
Show InChI InChI=1S/C19H17F2N5/c1-11-9-18(25-24-11)26-8-7-13-3-6-17(23-19(13)26)22-12(2)15-5-4-14(20)10-16(15)21/h3-10,12H,1-2H3,(H,22,23)(H,24,25)/t12-/m0/s1
Affinity DataIC50: 14nMAssay Description:Inhibition of human ALK kinase domain (1058 to 1620 residues) expressed in baculovirus expression system using biotin-poly-GT as substrate pre-incuba...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50524985(CHEMBL4460367)
Show SMILES C[C@H](Nc1ccc2c(cn(-c3cc(C)[nH]n3)c2n1)S(C)(=O)=O)c1ccc(F)cc1F
Show InChI InChI=1S/C20H19F2N5O2S/c1-11-8-19(26-25-11)27-10-17(30(3,28)29)15-6-7-18(24-20(15)27)23-12(2)14-5-4-13(21)9-16(14)22/h4-10,12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1
Affinity DataIC50: 15nMAssay Description:Inhibition of N-terminal GST-tagged human TrkA kinase domain (436 to 790 residues) expressed in baculovirus expression system using biotin-poly-GT as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50524987(CHEMBL4516801)
Show SMILES C[C@H](Nc1ccc2c(cn(-c3cc(C)n[nH]3)c2n1)C(=O)N(C)C)c1ccc(F)cn1
Show InChI InChI=1S/C21H22FN7O/c1-12-9-19(27-26-12)29-11-16(21(30)28(3)4)15-6-8-18(25-20(15)29)24-13(2)17-7-5-14(22)10-23-17/h5-11,13H,1-4H3,(H,24,25)(H,26,27)/t13-/m0/s1
Affinity DataIC50: 16nMAssay Description:Inhibition of recombinant human ALK expressed in HEK293 cells assessed as reduction in ALK autophosphorylation at Tyr1604 residue incubated for 60 mi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50524976(CHEMBL4435574)
Show SMILES CC(C)S(=O)(=O)c1cn(-c2cc(C)[nH]n2)c2nc(N[C@@H](C)c3ccc(F)cn3)ccc12
Show InChI InChI=1S/C21H23FN6O2S/c1-12(2)31(29,30)18-11-28(20-9-13(3)26-27-20)21-16(18)6-8-19(25-21)24-14(4)17-7-5-15(22)10-23-17/h5-12,14H,1-4H3,(H,24,25)(H,26,27)/t14-/m0/s1
Affinity DataIC50: 18nMAssay Description:Inhibition of human ALK kinase domain (1058 to 1620 residues) expressed in baculovirus expression system using biotin-poly-GT as substrate pre-incuba...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50524986(CHEMBL4516124)
Show SMILES C[C@H](Nc1ccc2c(cn(-c3cc(C)[nH]n3)c2n1)S(=O)(=O)C1COC1)c1ccc(F)cn1
Show InChI InChI=1S/C21H21FN6O3S/c1-12-7-20(27-26-12)28-9-18(32(29,30)15-10-31-11-15)16-4-6-19(25-21(16)28)24-13(2)17-5-3-14(22)8-23-17/h3-9,13,15H,10-11H2,1-2H3,(H,24,25)(H,26,27)/t13-/m0/s1
Affinity DataIC50: 20nMAssay Description:Inhibition of human ALK kinase domain (1058 to 1620 residues) expressed in baculovirus expression system using biotin-poly-GT as substrate pre-incuba...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50524980(CHEMBL4437605)
Show SMILES C[C@H](Nc1ccc2c(cn(-c3cc(C)n[nH]3)c2n1)C(=O)N1CCOCC1)c1ccc(F)cn1
Show InChI InChI=1S/C23H24FN7O2/c1-14-11-21(29-28-14)31-13-18(23(32)30-7-9-33-10-8-30)17-4-6-20(27-22(17)31)26-15(2)19-5-3-16(24)12-25-19/h3-6,11-13,15H,7-10H2,1-2H3,(H,26,27)(H,28,29)/t15-/m0/s1
Affinity DataIC50: 23nMAssay Description:Inhibition of recombinant human ALK expressed in HEK293 cells assessed as reduction in ALK autophosphorylation at Tyr1604 residue incubated for 60 mi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetFocal adhesion kinase 1(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50524979(CHEMBL4440381)
Show SMILES C[C@H](Oc1ccc2c(cn(-c3cc(C)[nH]n3)c2n1)C(=O)N1CCO[C@@H](C)C1)c1ccc(F)cn1
Show InChI InChI=1S/C24H25FN6O3/c1-14-10-21(29-28-14)31-13-19(24(32)30-8-9-33-15(2)12-30)18-5-7-22(27-23(18)31)34-16(3)20-6-4-17(25)11-26-20/h4-7,10-11,13,15-16H,8-9,12H2,1-3H3,(H,28,29)/t15-,16-/m0/s1
Affinity DataIC50: 25nMAssay Description:Inhibition of human FAK kinase domain (411 to 686 residues) expressed in baculovirus expression system using biotin-poly-GT as substrate pre-incubate...More data for this Ligand-Target Pair
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50524985(CHEMBL4460367)
Show SMILES C[C@H](Nc1ccc2c(cn(-c3cc(C)[nH]n3)c2n1)S(C)(=O)=O)c1ccc(F)cc1F
Show InChI InChI=1S/C20H19F2N5O2S/c1-11-8-19(26-25-11)27-10-17(30(3,28)29)15-6-7-18(24-20(15)27)23-12(2)14-5-4-13(21)9-16(14)22/h4-10,12H,1-3H3,(H,23,24)(H,25,26)/t12-/m0/s1
Affinity DataIC50: 27nMAssay Description:Inhibition of recombinant human ALK expressed in HEK293 cells assessed as reduction in ALK autophosphorylation at Tyr1604 residue incubated for 60 mi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50524979(CHEMBL4440381)
Show SMILES C[C@H](Oc1ccc2c(cn(-c3cc(C)[nH]n3)c2n1)C(=O)N1CCO[C@@H](C)C1)c1ccc(F)cn1
Show InChI InChI=1S/C24H25FN6O3/c1-14-10-21(29-28-14)31-13-19(24(32)30-8-9-33-15(2)12-30)18-5-7-22(27-23(18)31)34-16(3)20-6-4-17(25)11-26-20/h4-7,10-11,13,15-16H,8-9,12H2,1-3H3,(H,28,29)/t15-,16-/m0/s1
Affinity DataIC50: 27nMAssay Description:Inhibition of recombinant human ALK expressed in HEK293 cells assessed as reduction in ALK autophosphorylation at Tyr1604 residue incubated for 60 mi...More data for this Ligand-Target Pair
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50306682((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl
Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1
Affinity DataIC50: 37nMAssay Description:Inhibition of recombinant human ALK expressed in HEK293 cells assessed as reduction in ALK autophosphorylation at Tyr1604 residue incubated for 60 mi...More data for this Ligand-Target Pair
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50524977(CHEMBL4443254)
Show SMILES CCS(=O)(=O)c1cn(-c2cc(C)[nH]n2)c2nc(N[C@@H](C)c3ccc(F)cn3)ccc12
Show InChI InChI=1S/C20H21FN6O2S/c1-4-30(28,29)17-11-27(19-9-12(2)25-26-19)20-15(17)6-8-18(24-20)23-13(3)16-7-5-14(21)10-22-16/h5-11,13H,4H2,1-3H3,(H,23,24)(H,25,26)/t13-/m0/s1
Affinity DataIC50: 37nMAssay Description:Inhibition of recombinant human ALK expressed in HEK293 cells assessed as reduction in ALK autophosphorylation at Tyr1604 residue incubated for 60 mi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50524988(CHEMBL4586773)
Show SMILES C[C@H](Nc1ccc2c(cn(-c3cc(C)n[nH]3)c2n1)C(=O)N1CCN(C)CC1)c1ccc(F)cn1
Show InChI InChI=1S/C24H27FN8O/c1-15-12-22(30-29-15)33-14-19(24(34)32-10-8-31(3)9-11-32)18-5-7-21(28-23(18)33)27-16(2)20-6-4-17(25)13-26-20/h4-7,12-14,16H,8-11H2,1-3H3,(H,27,28)(H,29,30)/t16-/m0/s1
Affinity DataIC50: 37nMAssay Description:Inhibition of recombinant human ALK expressed in HEK293 cells assessed as reduction in ALK autophosphorylation at Tyr1604 residue incubated for 60 mi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50524978(CHEMBL4573505)
Show SMILES C[C@@H](Oc1ccc2c(cn(-c3cc(C)n[nH]3)c2n1)C(=O)N1CCO[C@H](C)C1)c1ccc(F)cn1
Show InChI InChI=1S/C24H25FN6O3/c1-14-10-21(29-28-14)31-13-19(24(32)30-8-9-33-15(2)12-30)18-5-7-22(27-23(18)31)34-16(3)20-6-4-17(25)11-26-20/h4-7,10-11,13,15-16H,8-9,12H2,1-3H3,(H,28,29)/t15-,16-/m1/s1
Affinity DataIC50: 42nMAssay Description:Inhibition of recombinant human ALK expressed in HEK293 cells assessed as reduction in ALK autophosphorylation at Tyr1604 residue incubated for 60 mi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50524989(CHEMBL4535072)
Show SMILES C[C@H](Nc1ccc2c(cn(-c3cc(C)[nH]n3)c2n1)S(C)(=O)=O)c1ccc(F)cn1
Show InChI InChI=1S/C19H19FN6O2S/c1-11-8-18(25-24-11)26-10-16(29(3,27)28)14-5-7-17(23-19(14)26)22-12(2)15-6-4-13(20)9-21-15/h4-10,12H,1-3H3,(H,22,23)(H,24,25)/t12-/m0/s1
Affinity DataIC50: 45nMAssay Description:Inhibition of N-terminal GST-tagged human TrkA kinase domain (436 to 790 residues) expressed in baculovirus expression system using biotin-poly-GT as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50524986(CHEMBL4516124)
Show SMILES C[C@H](Nc1ccc2c(cn(-c3cc(C)[nH]n3)c2n1)S(=O)(=O)C1COC1)c1ccc(F)cn1
Show InChI InChI=1S/C21H21FN6O3S/c1-12-7-20(27-26-12)28-9-18(32(29,30)15-10-31-11-15)16-4-6-19(25-21(16)28)24-13(2)17-5-3-14(22)8-23-17/h3-9,13,15H,10-11H2,1-2H3,(H,24,25)(H,26,27)/t13-/m0/s1
Affinity DataIC50: 60nMAssay Description:Inhibition of recombinant human ALK expressed in HEK293 cells assessed as reduction in ALK autophosphorylation at Tyr1604 residue incubated for 60 mi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50524975(CHEMBL4476859)
Show SMILES CC(Oc1ccc2c(cn(-c3cc(C)n[nH]3)c2n1)C(=O)N1CCOCC1)c1ccc(F)cn1
Show InChI InChI=1S/C23H23FN6O3/c1-14-11-20(28-27-14)30-13-18(23(31)29-7-9-32-10-8-29)17-4-6-21(26-22(17)30)33-15(2)19-5-3-16(24)12-25-19/h3-6,11-13,15H,7-10H2,1-2H3,(H,27,28)
Affinity DataIC50: 69nMAssay Description:Inhibition of recombinant human ALK expressed in HEK293 cells assessed as reduction in ALK autophosphorylation at Tyr1604 residue incubated for 60 mi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50524977(CHEMBL4443254)
Show SMILES CCS(=O)(=O)c1cn(-c2cc(C)[nH]n2)c2nc(N[C@@H](C)c3ccc(F)cn3)ccc12
Show InChI InChI=1S/C20H21FN6O2S/c1-4-30(28,29)17-11-27(19-9-12(2)25-26-19)20-15(17)6-8-18(24-20)23-13(3)16-7-5-14(21)10-22-16/h5-11,13H,4H2,1-3H3,(H,23,24)(H,25,26)/t13-/m0/s1
Affinity DataIC50: 110nMAssay Description:Inhibition of N-terminal GST-tagged human TrkA kinase domain (436 to 790 residues) expressed in baculovirus expression system using biotin-poly-GT as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50524987(CHEMBL4516801)
Show SMILES C[C@H](Nc1ccc2c(cn(-c3cc(C)n[nH]3)c2n1)C(=O)N(C)C)c1ccc(F)cn1
Show InChI InChI=1S/C21H22FN7O/c1-12-9-19(27-26-12)29-11-16(21(30)28(3)4)15-6-8-18(25-20(15)29)24-13(2)17-7-5-14(22)10-23-17/h5-11,13H,1-4H3,(H,24,25)(H,26,27)/t13-/m0/s1
Affinity DataIC50: 120nMAssay Description:Inhibition of N-terminal GST-tagged human TrkA kinase domain (436 to 790 residues) expressed in baculovirus expression system using biotin-poly-GT as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50524982(CHEMBL4448434)
Show SMILES C[C@H](Nc1ccc2ccn(-c3cc(C)n[nH]3)c2n1)c1ccc(F)cc1F
Show InChI InChI=1S/C19H17F2N5/c1-11-9-18(25-24-11)26-8-7-13-3-6-17(23-19(13)26)22-12(2)15-5-4-14(20)10-16(15)21/h3-10,12H,1-2H3,(H,22,23)(H,24,25)/t12-/m0/s1
Affinity DataIC50: 140nMAssay Description:Inhibition of recombinant human ALK expressed in HEK293 cells assessed as reduction in ALK autophosphorylation at Tyr1604 residue incubated for 60 mi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50524988(CHEMBL4586773)
Show SMILES C[C@H](Nc1ccc2c(cn(-c3cc(C)n[nH]3)c2n1)C(=O)N1CCN(C)CC1)c1ccc(F)cn1
Show InChI InChI=1S/C24H27FN8O/c1-15-12-22(30-29-15)33-14-19(24(34)32-10-8-31(3)9-11-32)18-5-7-21(28-23(18)33)27-16(2)20-6-4-17(25)13-26-20/h4-7,12-14,16H,8-11H2,1-3H3,(H,27,28)(H,29,30)/t16-/m0/s1
Affinity DataIC50: 250nMAssay Description:Inhibition of N-terminal GST-tagged human TrkA kinase domain (436 to 790 residues) expressed in baculovirus expression system using biotin-poly-GT as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50524976(CHEMBL4435574)
Show SMILES CC(C)S(=O)(=O)c1cn(-c2cc(C)[nH]n2)c2nc(N[C@@H](C)c3ccc(F)cn3)ccc12
Show InChI InChI=1S/C21H23FN6O2S/c1-12(2)31(29,30)18-11-28(20-9-13(3)26-27-20)21-16(18)6-8-19(25-21)24-14(4)17-7-5-15(22)10-23-17/h5-12,14H,1-4H3,(H,24,25)(H,26,27)/t14-/m0/s1
Affinity DataIC50: 270nMAssay Description:Inhibition of recombinant human ALK expressed in HEK293 cells assessed as reduction in ALK autophosphorylation at Tyr1604 residue incubated for 60 mi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50524986(CHEMBL4516124)
Show SMILES C[C@H](Nc1ccc2c(cn(-c3cc(C)[nH]n3)c2n1)S(=O)(=O)C1COC1)c1ccc(F)cn1
Show InChI InChI=1S/C21H21FN6O3S/c1-12-7-20(27-26-12)28-9-18(32(29,30)15-10-31-11-15)16-4-6-19(25-21(16)28)24-13(2)17-5-3-14(22)8-23-17/h3-9,13,15H,10-11H2,1-2H3,(H,24,25)(H,26,27)/t13-/m0/s1
Affinity DataIC50: 730nMAssay Description:Inhibition of N-terminal GST-tagged human TrkA kinase domain (436 to 790 residues) expressed in baculovirus expression system using biotin-poly-GT as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50524990(CHEMBL4529040)
Show SMILES C[C@@H](Nc1ccc2ncc(-c3cc(C)n[nH]3)n2n1)c1ccc(F)cc1F
Show InChI InChI=1S/C18H16F2N6/c1-10-7-15(24-23-10)16-9-21-18-6-5-17(25-26(16)18)22-11(2)13-4-3-12(19)8-14(13)20/h3-9,11H,1-2H3,(H,22,25)(H,23,24)/t11-/m1/s1
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of human ALK kinase domain (1058 to 1620 residues) expressed in baculovirus expression system using biotin-poly-GT as substrate pre-incuba...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50524980(CHEMBL4437605)
Show SMILES C[C@H](Nc1ccc2c(cn(-c3cc(C)n[nH]3)c2n1)C(=O)N1CCOCC1)c1ccc(F)cn1
Show InChI InChI=1S/C23H24FN7O2/c1-14-11-21(29-28-14)31-13-18(23(32)30-7-9-33-10-8-30)17-4-6-20(27-22(17)31)26-15(2)19-5-3-16(24)12-25-19/h3-6,11-13,15H,7-10H2,1-2H3,(H,26,27)(H,28,29)/t15-/m0/s1
Affinity DataIC50: 1.20E+3nMAssay Description:Inhibition of N-terminal GST-tagged human TrkA kinase domain (436 to 790 residues) expressed in baculovirus expression system using biotin-poly-GT as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50524975(CHEMBL4476859)
Show SMILES CC(Oc1ccc2c(cn(-c3cc(C)n[nH]3)c2n1)C(=O)N1CCOCC1)c1ccc(F)cn1
Show InChI InChI=1S/C23H23FN6O3/c1-14-11-20(28-27-14)30-13-18(23(31)29-7-9-32-10-8-29)17-4-6-21(26-22(17)30)33-15(2)19-5-3-16(24)12-25-19/h3-6,11-13,15H,7-10H2,1-2H3,(H,27,28)
Affinity DataIC50: 1.40E+3nMAssay Description:Inhibition of N-terminal GST-tagged human TrkA kinase domain (436 to 790 residues) expressed in baculovirus expression system using biotin-poly-GT as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50524984(CHEMBL4434659)
Show SMILES COCc1cn(-c2cc(C)n[nH]2)c2nc(OC(C)c3ccc(F)cn3)ccc12
Show InChI InChI=1S/C20H20FN5O2/c1-12-8-18(25-24-12)26-10-14(11-27-3)16-5-7-19(23-20(16)26)28-13(2)17-6-4-15(21)9-22-17/h4-10,13H,11H2,1-3H3,(H,24,25)
Affinity DataIC50: 1.50E+3nMAssay Description:Inhibition of N-terminal GST-tagged human TrkA kinase domain (436 to 790 residues) expressed in baculovirus expression system using biotin-poly-GT as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50524976(CHEMBL4435574)
Show SMILES CC(C)S(=O)(=O)c1cn(-c2cc(C)[nH]n2)c2nc(N[C@@H](C)c3ccc(F)cn3)ccc12
Show InChI InChI=1S/C21H23FN6O2S/c1-12(2)31(29,30)18-11-28(20-9-13(3)26-27-20)21-16(18)6-8-19(25-21)24-14(4)17-7-5-15(22)10-23-17/h5-12,14H,1-4H3,(H,24,25)(H,26,27)/t14-/m0/s1
Affinity DataIC50: 1.70E+3nMAssay Description:Inhibition of N-terminal GST-tagged human TrkA kinase domain (436 to 790 residues) expressed in baculovirus expression system using biotin-poly-GT as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50524979(CHEMBL4440381)
Show SMILES C[C@H](Oc1ccc2c(cn(-c3cc(C)[nH]n3)c2n1)C(=O)N1CCO[C@@H](C)C1)c1ccc(F)cn1
Show InChI InChI=1S/C24H25FN6O3/c1-14-10-21(29-28-14)31-13-19(24(32)30-8-9-33-15(2)12-30)18-5-7-22(27-23(18)31)34-16(3)20-6-4-17(25)11-26-20/h4-7,10-11,13,15-16H,8-9,12H2,1-3H3,(H,28,29)/t15-,16-/m0/s1
Affinity DataIC50: 2.60E+3nMAssay Description:Inhibition of N-terminal GST-tagged human TrkA kinase domain (436 to 790 residues) expressed in baculovirus expression system using biotin-poly-GT as...More data for this Ligand-Target Pair
TargetALK tyrosine kinase receptor(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50524984(CHEMBL4434659)
Show SMILES COCc1cn(-c2cc(C)n[nH]2)c2nc(OC(C)c3ccc(F)cn3)ccc12
Show InChI InChI=1S/C20H20FN5O2/c1-12-8-18(25-24-12)26-10-14(11-27-3)16-5-7-19(23-20(16)26)28-13(2)17-6-4-15(21)9-22-17/h4-10,13H,11H2,1-3H3,(H,24,25)
Affinity DataIC50: 2.80E+3nMAssay Description:Inhibition of human ALK kinase domain (1058 to 1620 residues) expressed in baculovirus expression system using biotin-poly-GT as substrate pre-incuba...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetHigh affinity nerve growth factor receptor(Homo sapiens (Human))
Takeda Pharmaceutical Company Limited

Curated by ChEMBL
LigandPNGBDBM50524978(CHEMBL4573505)
Show SMILES C[C@@H](Oc1ccc2c(cn(-c3cc(C)n[nH]3)c2n1)C(=O)N1CCO[C@H](C)C1)c1ccc(F)cn1
Show InChI InChI=1S/C24H25FN6O3/c1-14-10-21(29-28-14)31-13-19(24(32)30-8-9-33-15(2)12-30)18-5-7-22(27-23(18)31)34-16(3)20-6-4-17(25)11-26-20/h4-7,10-11,13,15-16H,8-9,12H2,1-3H3,(H,28,29)/t15-,16-/m1/s1
Affinity DataIC50: 3.40E+3nMAssay Description:Inhibition of N-terminal GST-tagged human TrkA kinase domain (436 to 790 residues) expressed in baculovirus expression system using biotin-poly-GT as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid