Found 324 hits with Last Name = 'magnaghi' and Initial = 'p' Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM158154
(US10081622, Compound 11 | US10370379, Entrectinib ...)Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1 Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40) | PDB
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| 6.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description Inhibition of recombinant ALK (unknown origin) |
J Med Chem 59: 3392-408 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM158154
(US10081622, Compound 11 | US10370379, Entrectinib ...)Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1 Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40) | PDB MMDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description Inhibition of TRKA (unknown origin) in presence of gamma33-ATP |
J Med Chem 59: 3392-408 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50170106
(CHEMBL3805643)Show SMILES Fc1cc(F)cc(Cc2ccc3[nH]nc(NC(=O)c4ccc(cc4NC4CCOCC4)N4CCNCC4)c3c2)c1 Show InChI InChI=1S/C30H32F2N6O2/c31-21-14-20(15-22(32)17-21)13-19-1-4-27-26(16-19)29(37-36-27)35-30(39)25-3-2-24(38-9-7-33-8-10-38)18-28(25)34-23-5-11-40-12-6-23/h1-4,14-18,23,33-34H,5-13H2,(H2,35,36,37,39) | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP |
J Med Chem 59: 3392-408 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG |
More data for this Ligand-Target Pair | |
High affinity nerve growth factor receptor
(Homo sapiens (Human)) | BDBM158154
(US10081622, Compound 11 | US10370379, Entrectinib ...)Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1 Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40) | PDB MMDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
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Curated by ChEMBL
| Assay Description Inhibition of human TEL (336 residues) fused-TRKA (440 to 796 residues) (unknown origin) expressed in mouse BAF3 cells assessed as cell growth inhibi... |
J Med Chem 59: 3392-408 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
BDNF/NT-3 growth factors receptor
(Homo sapiens (Human)) | BDBM158154
(US10081622, Compound 11 | US10370379, Entrectinib ...)Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1 Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40) | PDB MMDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
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Curated by ChEMBL
| Assay Description Inhibition of human TEL (336 residues) fused-TRKB (455 to 822 residues) (unknown origin) expressed in mouse BAF3 cells assessed as cell growth inhibi... |
J Med Chem 59: 3392-408 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG |
More data for this Ligand-Target Pair | |
BDNF/NT-3 growth factors receptor
(Homo sapiens (Human)) | BDBM158154
(US10081622, Compound 11 | US10370379, Entrectinib ...)Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1 Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40) | PDB MMDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
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Curated by ChEMBL
| Assay Description Inhibition of recombinant human TRKB incubated for 90 mins by selectscreen kinase assay |
J Med Chem 59: 3392-408 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG |
More data for this Ligand-Target Pair | |
NT-3 growth factor receptor
(Homo sapiens (Human)) | BDBM158154
(US10081622, Compound 11 | US10370379, Entrectinib ...)Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1 Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40) | PDB MMDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
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Curated by ChEMBL
| Assay Description Inhibition of human TEL (336 residues) fused-TRKC (454 to 825 residues) (unknown origin) expressed in mouse BAF3 cells assessed as cell growth inhibi... |
J Med Chem 59: 3392-408 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase ROS
(Homo sapiens (Human)) | BDBM158154
(US10081622, Compound 11 | US10370379, Entrectinib ...)Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1 Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40) | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
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Curated by ChEMBL
| Assay Description Inhibition of human TEL (336 residues) fused-ROS1 (1891 to 2347 residues) (unknown origin) expressed in mouse BAF3 cells assessed as cell growth inhi... |
J Med Chem 59: 3392-408 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG |
More data for this Ligand-Target Pair | |
NT-3 growth factor receptor
(Homo sapiens (Human)) | BDBM158154
(US10081622, Compound 11 | US10370379, Entrectinib ...)Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1 Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40) | PDB MMDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description Inhibition of recombinant human TRKC incubated for 90 mins by selectscreen kinase assay |
J Med Chem 59: 3392-408 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase ROS
(Homo sapiens (Human)) | BDBM158154
(US10081622, Compound 11 | US10370379, Entrectinib ...)Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1 Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40) | PDB
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| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
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Curated by ChEMBL
| Assay Description Inhibition of ROS1 (unknown origin) in presence of gamma33-ATP |
J Med Chem 59: 3392-408 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50170108
(CHEMBL3806122)Show SMILES CN1CCC(CC1)Oc1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1 Show InChI InChI=1S/C32H35F2N5O3/c1-39-10-6-25(7-11-39)42-26-3-4-27(30(19-26)35-24-8-12-41-13-9-24)32(40)36-31-28-17-20(2-5-29(28)37-38-31)14-21-15-22(33)18-23(34)16-21/h2-5,15-19,24-25,35H,6-14H2,1H3,(H2,36,37,38,40) | PDB
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP |
J Med Chem 59: 3392-408 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50170102
(CHEMBL3805123)Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(N[C@H]2CC[C@H](O)CC2)c1 |r,wU:34.37,wD:37.41,(6.99,12.97,;6.61,11.8,;7.64,10.66,;7.17,9.19,;5.66,8.87,;4.63,10.01,;5.1,11.48,;5.18,7.41,;3.68,7.09,;3.2,5.62,;4.23,4.48,;3.75,3.01,;4.57,2.1,;2.24,2.7,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-3.72,1.53,;-5.05,.74,;-5.03,-.8,;-6.36,-1.58,;-6.34,-2.81,;-7.7,-.82,;-7.71,.72,;-8.79,1.32,;-6.39,1.5,;-1.03,1.55,;.3,.77,;5.73,4.8,;6.77,3.65,;8.27,3.97,;8.75,5.44,;10.25,5.76,;11.29,4.62,;12.49,4.88,;10.81,3.16,;9.31,2.83,;6.21,6.26,)| Show InChI InChI=1S/C32H36F2N6O2/c1-39-10-12-40(13-11-39)25-5-8-27(30(19-25)35-24-3-6-26(41)7-4-24)32(42)36-31-28-17-20(2-9-29(28)37-38-31)14-21-15-22(33)18-23(34)16-21/h2,5,8-9,15-19,24,26,35,41H,3-4,6-7,10-14H2,1H3,(H2,36,37,38,42)/t24-,26- | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP |
J Med Chem 59: 3392-408 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM158154
(US10081622, Compound 11 | US10370379, Entrectinib ...)Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1 Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40) | PDB
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
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Curated by ChEMBL
| Assay Description Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP |
J Med Chem 59: 3392-408 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50170100
(CHEMBL3805899)Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NCCF)c1 Show InChI InChI=1S/C28H29F3N6O/c1-36-8-10-37(11-9-36)22-3-4-23(26(17-22)32-7-6-29)28(38)33-27-24-15-18(2-5-25(24)34-35-27)12-19-13-20(30)16-21(31)14-19/h2-5,13-17,32H,6-12H2,1H3,(H2,33,34,35,38) | PDB
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| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP |
J Med Chem 59: 3392-408 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50170105
(CHEMBL3805741)Show SMILES CN(C)CCN(C)C(=O)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1 Show InChI InChI=1S/C32H36F2N6O3/c1-39(2)10-11-40(3)32(42)22-5-6-26(29(18-22)35-25-8-12-43-13-9-25)31(41)36-30-27-17-20(4-7-28(27)37-38-30)14-21-15-23(33)19-24(34)16-21/h4-7,15-19,25,35H,8-14H2,1-3H3,(H2,36,37,38,41) | PDB
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Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP |
J Med Chem 59: 3392-408 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50170104
(CHEMBL3805020)Show SMILES CN1CCC(CC1)Nc1cc(ccc1C(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12)N1CCN(C)CC1 Show InChI InChI=1S/C32H37F2N7O/c1-39-9-7-25(8-10-39)35-30-20-26(41-13-11-40(2)12-14-41)4-5-27(30)32(42)36-31-28-18-21(3-6-29(28)37-38-31)15-22-16-23(33)19-24(34)17-22/h3-6,16-20,25,35H,7-15H2,1-2H3,(H2,36,37,38,42) | PDB
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Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP |
J Med Chem 59: 3392-408 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50170107
(CHEMBL3806112)Show SMILES Fc1cc(F)cc(Cc2ccc3[nH]nc(NC(=O)c4ccc(CN5CCCCC5)cc4NC4CCOCC4)c3c2)c1 Show InChI InChI=1S/C32H35F2N5O2/c33-24-15-23(16-25(34)19-24)14-21-5-7-29-28(17-21)31(38-37-29)36-32(40)27-6-4-22(20-39-10-2-1-3-11-39)18-30(27)35-26-8-12-41-13-9-26/h4-7,15-19,26,35H,1-3,8-14,20H2,(H2,36,37,38,40) | PDB
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Similars
| Article PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP |
J Med Chem 59: 3392-408 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50170077
(CHEMBL3805214)Show SMILES C[C@H](c1ccc2[nH]nc(NC(=O)c3ccc(cc3NC3CCOCC3)N3CCN(C)CC3)c2c1)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C32H36F2N6O2/c1-20(22-15-23(33)18-24(34)16-22)21-3-6-29-28(17-21)31(38-37-29)36-32(41)27-5-4-26(40-11-9-39(2)10-12-40)19-30(27)35-25-7-13-42-14-8-25/h3-6,15-20,25,35H,7-14H2,1-2H3,(H2,36,37,38,41)/t20-/m1/s1 | PDB
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| Article PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP |
J Med Chem 59: 3392-408 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG |
More data for this Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50424917
(CHEMBL2311578)Show SMILES Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C27H28N4O3S2/c1-19-16-22(11-14-25(19)20-9-12-24(13-10-20)36(2,32)33)34-18-26-29-30-27(35-23-7-3-4-8-23)31(26)21-6-5-15-28-17-21/h5-6,9-17,23H,3-4,7-8,18H2,1-2H3 | PDB
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| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ... |
J Med Chem 56: 437-50 (2013)
Article DOI: 10.1021/jm3013213 BindingDB Entry DOI: 10.7270/Q21Z45QK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50424919
(CHEMBL2315422)Show SMILES Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C26H27N5O3S2/c1-18-15-21(10-13-24(18)19-8-11-23(12-9-19)36(27,32)33)34-17-25-29-30-26(35-22-6-2-3-7-22)31(25)20-5-4-14-28-16-20/h4-5,8-16,22H,2-3,6-7,17H2,1H3,(H2,27,32,33) | PDB
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| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ... |
J Med Chem 56: 437-50 (2013)
Article DOI: 10.1021/jm3013213 BindingDB Entry DOI: 10.7270/Q21Z45QK |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50170112
(CHEMBL3805749)Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NCCO)c1 Show InChI InChI=1S/C28H30F2N6O2/c1-35-7-9-36(10-8-35)22-3-4-23(26(17-22)31-6-11-37)28(38)32-27-24-15-18(2-5-25(24)33-34-27)12-19-13-20(29)16-21(30)14-19/h2-5,13-17,31,37H,6-12H2,1H3,(H2,32,33,34,38) | PDB
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| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP |
J Med Chem 59: 3392-408 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG |
More data for this Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50040551
(CHEMBL3361184)Show SMILES OC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(37.31,-57.24,;35.98,-58.01,;35.98,-59.55,;34.65,-57.24,;33.31,-58.01,;31.98,-57.24,;31.98,-55.7,;30.64,-54.93,;30.64,-53.39,;29.31,-52.62,;27.98,-53.39,;26.64,-52.62,;25.31,-53.39,;25.31,-54.93,;23.97,-55.7,;23.97,-57.24,;22.64,-58.01,;21.31,-57.24,;21.31,-55.7,;22.64,-54.93,;26.64,-51.08,;27.98,-50.31,;29.31,-51.08,;27.98,-48.77,;26.64,-48,;26.64,-46.46,;27.98,-45.69,;29.31,-46.46,;29.31,-48,;33.31,-54.93,;34.65,-55.7,)| Show InChI InChI=1S/C25H28N4O2/c30-24(31)21-13-11-19(12-14-21)17-27-25-28-22(20-9-5-2-6-10-20)15-23(29-25)26-16-18-7-3-1-4-8-18/h1-10,15,19,21H,11-14,16-17H2,(H,30,31)(H2,26,27,28,29)/t19-,21- | PDB
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| Article PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences S.r.l.
Curated by ChEMBL
| Assay Description Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for... |
J Med Chem 57: 10443-54 (2014)
Article DOI: 10.1021/jm501313x BindingDB Entry DOI: 10.7270/Q2T1558Z |
More data for this Ligand-Target Pair | |
Insulin-like growth factor 1 receptor
(Homo sapiens (Human)) | BDBM50170106
(CHEMBL3805643)Show SMILES Fc1cc(F)cc(Cc2ccc3[nH]nc(NC(=O)c4ccc(cc4NC4CCOCC4)N4CCNCC4)c3c2)c1 Show InChI InChI=1S/C30H32F2N6O2/c31-21-14-20(15-22(32)17-21)13-19-1-4-27-26(16-19)29(37-36-27)35-30(39)25-3-2-24(38-9-7-33-8-10-38)18-28(25)34-23-5-11-40-12-6-23/h1-4,14-18,23,33-34H,5-13H2,(H2,35,36,37,39) | PDB MMDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description Inhibition of IGF1R (unknown origin) in presence of gamma33-ATP |
J Med Chem 59: 3392-408 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50170079
(CHEMBL3805002)Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cccc(F)c4)cc23)c(NC2CCOCC2)c1 Show InChI InChI=1S/C31H35FN6O2/c1-37-11-13-38(14-12-37)25-6-7-26(29(20-25)33-24-9-15-40-16-10-24)31(39)34-30-27-19-22(5-8-28(27)35-36-30)17-21-3-2-4-23(32)18-21/h2-8,18-20,24,33H,9-17H2,1H3,(H2,34,35,36,39) | PDB
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Similars
| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP |
J Med Chem 59: 3392-408 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG |
More data for this Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50040550
(CHEMBL3361185)Show SMILES OC(=O)[C@H]1CC[C@H](CNc2nc(Nc3ccccc3)cc(n2)-c2ccccc2)CC1 |r,wU:3.2,wD:6.6,(59.29,-56.65,;57.96,-57.42,;57.96,-58.96,;56.63,-56.65,;55.29,-57.42,;53.96,-56.65,;53.96,-55.11,;52.62,-54.34,;51.29,-55.11,;49.96,-54.34,;49.96,-52.8,;48.62,-52.03,;48.62,-50.49,;49.96,-49.72,;49.96,-48.18,;51.29,-47.41,;52.62,-48.18,;52.62,-49.72,;51.29,-50.49,;47.29,-52.8,;47.29,-54.34,;48.62,-55.11,;45.95,-55.11,;45.95,-56.65,;44.62,-57.42,;43.29,-56.65,;43.29,-55.11,;44.62,-54.34,;55.29,-54.34,;56.63,-55.11,)| Show InChI InChI=1S/C24H26N4O2/c29-23(30)19-13-11-17(12-14-19)16-25-24-27-21(18-7-3-1-4-8-18)15-22(28-24)26-20-9-5-2-6-10-20/h1-10,15,17,19H,11-14,16H2,(H,29,30)(H2,25,26,27,28)/t17-,19- | PDB
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| Article PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences S.r.l.
Curated by ChEMBL
| Assay Description Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for... |
J Med Chem 57: 10443-54 (2014)
Article DOI: 10.1021/jm501313x BindingDB Entry DOI: 10.7270/Q2T1558Z |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50170080
(CHEMBL3805462)Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)ccc4F)cc23)c(NC2CCOCC2)c1 Show InChI InChI=1S/C31H34F2N6O2/c1-38-10-12-39(13-11-38)24-4-5-25(29(19-24)34-23-8-14-41-15-9-23)31(40)35-30-26-17-20(2-7-28(26)36-37-30)16-21-18-22(32)3-6-27(21)33/h2-7,17-19,23,34H,8-16H2,1H3,(H2,35,36,37,40) | PDB
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Similars
| Article PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP |
J Med Chem 59: 3392-408 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM158154
(US10081622, Compound 11 | US10370379, Entrectinib ...)Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1 Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40) | PDB
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MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description Inhibition of JAK2 (unknown origin) in presence of gamma33-ATP |
J Med Chem 59: 3392-408 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG |
More data for this Ligand-Target Pair | |
Insulin receptor
(Homo sapiens (Human)) | BDBM50170106
(CHEMBL3805643)Show SMILES Fc1cc(F)cc(Cc2ccc3[nH]nc(NC(=O)c4ccc(cc4NC4CCOCC4)N4CCNCC4)c3c2)c1 Show InChI InChI=1S/C30H32F2N6O2/c31-21-14-20(15-22(32)17-21)13-19-1-4-27-26(16-19)29(37-36-27)35-30(39)25-3-2-24(38-9-7-33-8-10-38)18-28(25)34-23-5-11-40-12-6-23/h1-4,14-18,23,33-34H,5-13H2,(H2,35,36,37,39) | PDB MMDB
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| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description Inhibition of IR (unknown origin) in presence of gamma33-ATP |
J Med Chem 59: 3392-408 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG |
More data for this Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50424939
(CHEMBL2315430)Show SMILES NC(=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1 Show InChI InChI=1S/C26H25N5O2S/c27-25(32)20-9-7-18(8-10-20)19-11-13-22(14-12-19)33-17-24-29-30-26(34-23-5-1-2-6-23)31(24)21-4-3-15-28-16-21/h3-4,7-16,23H,1-2,5-6,17H2,(H2,27,32) | PDB
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| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ... |
J Med Chem 56: 437-50 (2013)
Article DOI: 10.1021/jm3013213 BindingDB Entry DOI: 10.7270/Q21Z45QK |
More data for this Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50424938
(CHEMBL2315431)Show SMILES CNC(=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1 Show InChI InChI=1S/C27H27N5O2S/c1-28-26(33)21-10-8-19(9-11-21)20-12-14-23(15-13-20)34-18-25-30-31-27(35-24-6-2-3-7-24)32(25)22-5-4-16-29-17-22/h4-5,8-17,24H,2-3,6-7,18H2,1H3,(H,28,33) | PDB
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Similars
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| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ... |
J Med Chem 56: 437-50 (2013)
Article DOI: 10.1021/jm3013213 BindingDB Entry DOI: 10.7270/Q21Z45QK |
More data for this Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50424942
(CHEMBL2315427)Show SMILES CONC(=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1 Show InChI InChI=1S/C27H27N5O3S/c1-34-31-26(33)21-10-8-19(9-11-21)20-12-14-23(15-13-20)35-18-25-29-30-27(36-24-6-2-3-7-24)32(25)22-5-4-16-28-17-22/h4-5,8-17,24H,2-3,6-7,18H2,1H3,(H,31,33) | PDB
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Similars
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| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ... |
J Med Chem 56: 437-50 (2013)
Article DOI: 10.1021/jm3013213 BindingDB Entry DOI: 10.7270/Q21Z45QK |
More data for this Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50040513
(CHEMBL3361210)Show SMILES NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2ccccc2F)CC1 |r,wU:3.2,wD:6.6,(46.52,-53.26,;47.86,-54.03,;47.86,-55.57,;49.2,-53.26,;49.2,-51.72,;50.53,-50.95,;51.86,-51.72,;53.2,-50.95,;54.53,-51.72,;55.86,-50.95,;55.86,-49.41,;57.2,-48.64,;57.2,-47.1,;55.86,-46.33,;55.86,-44.79,;54.53,-44.02,;54.53,-42.48,;55.86,-41.71,;57.2,-42.48,;57.2,-44.02,;58.53,-49.41,;58.53,-50.95,;57.2,-51.72,;59.86,-51.72,;59.86,-53.26,;61.2,-54.03,;62.53,-53.26,;62.53,-51.72,;61.2,-50.95,;61.2,-49.41,;51.86,-53.26,;50.53,-54.03,)| Show InChI InChI=1S/C25H28FN5O/c26-21-9-5-4-8-20(21)22-14-23(28-15-17-6-2-1-3-7-17)31-25(30-22)29-16-18-10-12-19(13-11-18)24(27)32/h1-9,14,18-19H,10-13,15-16H2,(H2,27,32)(H2,28,29,30,31)/t18-,19- | PDB
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Similars
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| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences S.r.l.
Curated by ChEMBL
| Assay Description Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for... |
J Med Chem 57: 10443-54 (2014)
Article DOI: 10.1021/jm501313x BindingDB Entry DOI: 10.7270/Q2T1558Z |
More data for this Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50424941
(CHEMBL2315428)Show SMILES OCC(=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1 Show InChI InChI=1S/C27H26N4O3S/c32-17-25(33)21-9-7-19(8-10-21)20-11-13-23(14-12-20)34-18-26-29-30-27(35-24-5-1-2-6-24)31(26)22-4-3-15-28-16-22/h3-4,7-16,24,32H,1-2,5-6,17-18H2 | PDB
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Similars
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| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ... |
J Med Chem 56: 437-50 (2013)
Article DOI: 10.1021/jm3013213 BindingDB Entry DOI: 10.7270/Q21Z45QK |
More data for this Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50424916
(CHEMBL2315424)Show SMILES CC(=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1C Show InChI InChI=1S/C28H28N4O2S/c1-19-16-24(13-14-26(19)22-11-9-21(10-12-22)20(2)33)34-18-27-30-31-28(35-25-7-3-4-8-25)32(27)23-6-5-15-29-17-23/h5-6,9-17,25H,3-4,7-8,18H2,1-2H3 | PDB
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Similars
| Article PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ... |
J Med Chem 56: 437-50 (2013)
Article DOI: 10.1021/jm3013213 BindingDB Entry DOI: 10.7270/Q21Z45QK |
More data for this Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50424918
(CHEMBL2315423)Show SMILES CNC(=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1C Show InChI InChI=1S/C28H29N5O2S/c1-19-16-23(13-14-25(19)20-9-11-21(12-10-20)27(34)29-2)35-18-26-31-32-28(36-24-7-3-4-8-24)33(26)22-6-5-15-30-17-22/h5-6,9-17,24H,3-4,7-8,18H2,1-2H3,(H,29,34) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ... |
J Med Chem 56: 437-50 (2013)
Article DOI: 10.1021/jm3013213 BindingDB Entry DOI: 10.7270/Q21Z45QK |
More data for this Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50424920
(CHEMBL2315421)Show SMILES CONC(=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1C Show InChI InChI=1S/C28H29N5O3S/c1-19-16-23(13-14-25(19)20-9-11-21(12-10-20)27(34)32-35-2)36-18-26-30-31-28(37-24-7-3-4-8-24)33(26)22-6-5-15-29-17-22/h5-6,9-17,24H,3-4,7-8,18H2,1-2H3,(H,32,34) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ... |
J Med Chem 56: 437-50 (2013)
Article DOI: 10.1021/jm3013213 BindingDB Entry DOI: 10.7270/Q21Z45QK |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50170076
(CHEMBL3804988)Show SMILES C[C@@H](c1ccc2[nH]nc(NC(=O)c3ccc(cc3NC3CCOCC3)N3CCN(C)CC3)c2c1)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C32H36F2N6O2/c1-20(22-15-23(33)18-24(34)16-22)21-3-6-29-28(17-21)31(38-37-29)36-32(41)27-5-4-26(40-11-9-39(2)10-12-40)19-30(27)35-25-7-13-42-14-8-25/h3-6,15-20,25,35H,7-14H2,1-2H3,(H2,36,37,38,41)/t20-/m0/s1 | PDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP |
J Med Chem 59: 3392-408 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG |
More data for this Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50040506
(CHEMBL3361216)Show SMILES CC(=O)Nc1ccc(cc1)-c1cc(NCc2ccccc2)nc(NC[C@H]2CC[C@@H](CC2)C(N)=O)n1 |r,wU:28.33,wD:25.26,(48.05,-32.43,;49.39,-31.66,;49.39,-30.12,;50.72,-32.43,;52.05,-31.66,;53.38,-32.43,;54.72,-31.66,;54.72,-30.12,;53.38,-29.35,;52.05,-30.12,;56.05,-29.35,;56.05,-27.81,;57.39,-27.04,;57.39,-25.5,;58.72,-24.73,;58.72,-23.19,;57.39,-22.42,;57.39,-20.88,;58.72,-20.11,;60.05,-20.88,;60.05,-22.42,;58.72,-27.81,;58.72,-29.35,;60.05,-30.12,;61.38,-29.35,;62.72,-30.12,;62.72,-31.66,;64.06,-32.43,;65.38,-31.66,;65.38,-30.12,;64.06,-29.35,;66.72,-32.43,;68.06,-31.66,;66.72,-33.97,;57.39,-30.12,)| Show InChI InChI=1S/C27H32N6O2/c1-18(34)31-23-13-11-21(12-14-23)24-15-25(29-16-19-5-3-2-4-6-19)33-27(32-24)30-17-20-7-9-22(10-8-20)26(28)35/h2-6,11-15,20,22H,7-10,16-17H2,1H3,(H2,28,35)(H,31,34)(H2,29,30,32,33)/t20-,22- | PDB
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences S.r.l.
Curated by ChEMBL
| Assay Description Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for... |
J Med Chem 57: 10443-54 (2014)
Article DOI: 10.1021/jm501313x BindingDB Entry DOI: 10.7270/Q2T1558Z |
More data for this Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50040557
(CHEMBL3361178)Show SMILES Nc1ccc(cc1[N+]([O-])=O)-c1cc(nc(NC[C@H]2CC[C@@H](CC2)C(O)=O)n1)-c1ccccc1 |r,wU:20.24,wD:17.17,(23.21,-28.81,;24.55,-28.04,;24.55,-26.5,;25.88,-25.73,;27.22,-26.5,;27.22,-28.04,;25.88,-28.81,;25.88,-30.35,;27.22,-31.12,;24.55,-31.12,;28.55,-25.73,;28.55,-24.19,;29.89,-23.42,;31.21,-24.19,;31.21,-25.73,;32.55,-26.5,;33.89,-25.73,;35.22,-26.5,;35.22,-28.04,;36.55,-28.81,;37.89,-28.04,;37.89,-26.5,;36.55,-25.73,;39.22,-28.81,;40.55,-28.04,;39.22,-30.35,;29.89,-26.5,;29.89,-21.88,;28.55,-21.11,;28.55,-19.57,;29.89,-18.8,;31.21,-19.57,;31.21,-21.11,)| Show InChI InChI=1S/C24H25N5O4/c25-19-11-10-18(12-22(19)29(32)33)21-13-20(16-4-2-1-3-5-16)27-24(28-21)26-14-15-6-8-17(9-7-15)23(30)31/h1-5,10-13,15,17H,6-9,14,25H2,(H,30,31)(H,26,27,28)/t15-,17- | PDB
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences S.r.l.
Curated by ChEMBL
| Assay Description Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for... |
J Med Chem 57: 10443-54 (2014)
Article DOI: 10.1021/jm501313x BindingDB Entry DOI: 10.7270/Q2T1558Z |
More data for this Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50040499
(CHEMBL3361223)Show SMILES NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2cc3ccccc3o2)CC1 |r,wU:3.2,wD:6.6,(30.81,-47.63,;31.58,-48.97,;33.12,-48.97,;30.81,-50.31,;31.58,-51.63,;30.81,-52.97,;29.27,-52.97,;28.5,-54.3,;29.27,-55.64,;28.5,-56.97,;26.96,-56.97,;26.19,-58.31,;24.65,-58.31,;23.88,-56.97,;22.34,-56.97,;21.57,-58.31,;20.03,-58.31,;19.26,-56.97,;20.03,-55.64,;21.57,-55.64,;26.96,-59.64,;28.5,-59.64,;29.27,-58.31,;29.27,-60.97,;28.64,-62.38,;29.79,-63.41,;29.79,-64.95,;31.12,-65.72,;32.46,-64.95,;32.46,-63.41,;31.12,-62.64,;30.8,-61.13,;28.5,-51.63,;29.27,-50.31,)| Show InChI InChI=1S/C27H29N5O2/c28-26(33)20-12-10-19(11-13-20)17-30-27-31-22(24-14-21-8-4-5-9-23(21)34-24)15-25(32-27)29-16-18-6-2-1-3-7-18/h1-9,14-15,19-20H,10-13,16-17H2,(H2,28,33)(H2,29,30,31,32)/t19-,20- | PDB
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences S.r.l.
Curated by ChEMBL
| Assay Description Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for... |
J Med Chem 57: 10443-54 (2014)
Article DOI: 10.1021/jm501313x BindingDB Entry DOI: 10.7270/Q2T1558Z |
More data for this Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50424937
(CHEMBL2315432)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1 Show InChI InChI=1S/C26H26N4O3S2/c1-35(31,32)24-14-10-20(11-15-24)19-8-12-22(13-9-19)33-18-25-28-29-26(34-23-6-2-3-7-23)30(25)21-5-4-16-27-17-21/h4-5,8-17,23H,2-3,6-7,18H2,1H3 | PDB
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ... |
J Med Chem 56: 437-50 (2013)
Article DOI: 10.1021/jm3013213 BindingDB Entry DOI: 10.7270/Q21Z45QK |
More data for this Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50424936
(CHEMBL2315433)Show SMILES CC(=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1 Show InChI InChI=1S/C27H26N4O2S/c1-19(32)20-8-10-21(11-9-20)22-12-14-24(15-13-22)33-18-26-29-30-27(34-25-6-2-3-7-25)31(26)23-5-4-16-28-17-23/h4-5,8-17,25H,2-3,6-7,18H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ... |
J Med Chem 56: 437-50 (2013)
Article DOI: 10.1021/jm3013213 BindingDB Entry DOI: 10.7270/Q21Z45QK |
More data for this Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50424915
(CHEMBL2315425)Show SMILES Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1-c1ccc(C=O)cc1 Show InChI InChI=1S/C27H26N4O2S/c1-19-15-23(12-13-25(19)21-10-8-20(17-32)9-11-21)33-18-26-29-30-27(34-24-6-2-3-7-24)31(26)22-5-4-14-28-16-22/h4-5,8-17,24H,2-3,6-7,18H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ... |
J Med Chem 56: 437-50 (2013)
Article DOI: 10.1021/jm3013213 BindingDB Entry DOI: 10.7270/Q21Z45QK |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50170101
(CHEMBL3806280)Show SMILES CN1CC(CNc2cc(ccc2C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)N2CCN(C)CC2)C1 Show InChI InChI=1S/C31H35F2N7O/c1-38-7-9-40(10-8-38)25-4-5-26(29(16-25)34-17-22-18-39(2)19-22)31(41)35-30-27-14-20(3-6-28(27)36-37-30)11-21-12-23(32)15-24(33)13-21/h3-6,12-16,22,34H,7-11,17-19H2,1-2H3,(H2,35,36,37,41) | PDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP |
J Med Chem 59: 3392-408 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG |
More data for this Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50170081
(CHEMBL3805516)Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(N)c1 Show InChI InChI=1S/C26H26F2N6O/c1-33-6-8-34(9-7-33)20-3-4-21(23(29)15-20)26(35)30-25-22-13-16(2-5-24(22)31-32-25)10-17-11-18(27)14-19(28)12-17/h2-5,11-15H,6-10,29H2,1H3,(H2,30,31,32,35) | PDB
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description Inhibition of recombinant ALK (unknown origin) in presence of gamma33-ATP |
J Med Chem 59: 3392-408 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG |
More data for this Ligand-Target Pair | |
Activated CDC42 kinase 1
(Homo sapiens (Human)) | BDBM158154
(US10081622, Compound 11 | US10370379, Entrectinib ...)Show SMILES CN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1 Show InChI InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40) | PDB MMDB
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| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description Inhibition of ACK1 (unknown origin) in presence of gamma33-ATP |
J Med Chem 59: 3392-408 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00064 BindingDB Entry DOI: 10.7270/Q27M09TG |
More data for this Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50424884
(CHEMBL2315450)Show InChI InChI=1S/C19H18ClFN4OS/c20-16-8-7-14(10-17(16)21)26-12-18-23-24-19(27-15-5-1-2-6-15)25(18)13-4-3-9-22-11-13/h3-4,7-11,15H,1-2,5-6,12H2 | PDB
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ... |
J Med Chem 56: 437-50 (2013)
Article DOI: 10.1021/jm3013213 BindingDB Entry DOI: 10.7270/Q21Z45QK |
More data for this Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50424921
(CHEMBL2315420)Show SMILES Cc1cc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)ccc1-c1ccc(cc1)C#N Show InChI InChI=1S/C27H25N5OS/c1-19-15-23(12-13-25(19)21-10-8-20(16-28)9-11-21)33-18-26-30-31-27(34-24-6-2-3-7-24)32(26)22-5-4-14-29-17-22/h4-5,8-15,17,24H,2-3,6-7,18H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ... |
J Med Chem 56: 437-50 (2013)
Article DOI: 10.1021/jm3013213 BindingDB Entry DOI: 10.7270/Q21Z45QK |
More data for this Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50040498
(CHEMBL3361224)Show SMILES NC(=O)[C@H]1CC[C@H](CNc2nc(NCc3ccccc3)cc(n2)-c2ccc3[nH]ncc3c2)CC1 |r,wU:3.2,wD:6.6,(43.88,-48.16,;45.2,-48.93,;46.54,-48.16,;45.2,-50.47,;46.54,-51.24,;46.54,-52.78,;45.2,-53.55,;45.2,-55.09,;43.88,-55.86,;43.88,-57.4,;45.2,-58.17,;45.2,-59.71,;46.54,-60.48,;47.88,-59.71,;49.21,-60.48,;50.54,-59.71,;51.88,-60.48,;51.88,-62.02,;50.54,-62.79,;49.21,-62.02,;43.88,-60.48,;42.54,-59.71,;42.54,-58.17,;41.21,-60.48,;41.21,-62.02,;39.87,-62.79,;38.54,-62.02,;37.07,-62.5,;36.17,-61.25,;37.07,-60,;38.54,-60.48,;39.87,-59.71,;43.88,-52.78,;43.88,-51.24,)| | PDB
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UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences S.r.l.
Curated by ChEMBL
| Assay Description Inhibition of human full length VCP (2 to 806 residues) expressed in High5 insect cells assessed as reduction in ATPase activity by measuring ADP for... |
J Med Chem 57: 10443-54 (2014)
Article DOI: 10.1021/jm501313x BindingDB Entry DOI: 10.7270/Q2T1558Z |
More data for this Ligand-Target Pair | |
Transitional endoplasmic reticulum ATPase
(Homo sapiens (Human)) | BDBM50424940
(CHEMBL2315429)Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1 Show InChI InChI=1S/C25H25N5O3S2/c26-35(31,32)23-13-9-19(10-14-23)18-7-11-21(12-8-18)33-17-24-28-29-25(34-22-5-1-2-6-22)30(24)20-4-3-15-27-16-20/h3-4,7-16,22H,1-2,5-6,17H2,(H2,26,31,32) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of human recombinant His-GST tagged VCP expressed in baculovirus infected Hi5 cells assessed as ADP formation incubated for 20 mins proir ... |
J Med Chem 56: 437-50 (2013)
Article DOI: 10.1021/jm3013213 BindingDB Entry DOI: 10.7270/Q21Z45QK |
More data for this Ligand-Target Pair | |