Found 83 hits with Last Name = 'wagner' and Initial = 'jc' 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)) | BDBM50393620
(CHEMBL2158531)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)C1CCN(C[C@H](O)CO)CC1 |r| Show InChI InChI=1S/C28H33N5O4/c1-36-26-6-4-3-5-23(26)25-10-8-21-16-29-28(31-33(21)25)30-24-9-7-20(15-27(24)37-2)19-11-13-32(14-12-19)17-22(35)18-34/h3-10,15-16,19,22,34-35H,11-14,17-18H2,1-2H3,(H,30,31)/t22-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human ALK cytoplasmic domain (1058-1620) expressed in Sf21 insect cells using GST-tagged human recombinant PLC-gamma/substra... |
J Med Chem 55: 115-25 (2012)
Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50101805
(CHEMBL3398172)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)C1CCN(C)CC1O Show InChI InChI=1S/C26H29N5O3/c1-30-13-12-19(23(32)16-30)17-8-10-21(25(14-17)34-3)28-26-27-15-18-9-11-22(31(18)29-26)20-6-4-5-7-24(20)33-2/h4-11,14-15,19,23,32H,12-13,16H2,1-3H3,(H,28,29) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK (unknown origin) by enzymatic assay |
Bioorg Med Chem Lett 25: 1047-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.019
BindingDB Entry DOI: 10.7270/Q2GB25SJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50101803
(CHEMBL3398174)Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3OC)[C@@H]3CCN(CCO)C[C@@H]3O)nn12 |r| Show InChI InChI=1S/C27H31N5O4/c1-35-25-6-4-3-5-21(25)23-10-8-19-16-28-27(30-32(19)23)29-22-9-7-18(15-26(22)36-2)20-11-12-31(13-14-33)17-24(20)34/h3-10,15-16,20,24,33-34H,11-14,17H2,1-2H3,(H,29,30)/t20-,24-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK (unknown origin) by enzymatic assay |
Bioorg Med Chem Lett 25: 1047-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.019
BindingDB Entry DOI: 10.7270/Q2GB25SJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50101810
(CHEMBL3398166)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)[C@@]1(O)CCN(C)C[C@@H]1O |r| Show InChI InChI=1S/C26H29N5O4/c1-30-13-12-26(33,24(32)16-30)17-8-10-20(23(14-17)35-3)28-25-27-15-18-9-11-21(31(18)29-25)19-6-4-5-7-22(19)34-2/h4-11,14-15,24,32-33H,12-13,16H2,1-3H3,(H,28,29)/t24-,26-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK (unknown origin) by enzymatic assay |
Bioorg Med Chem Lett 25: 1047-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.019
BindingDB Entry DOI: 10.7270/Q2GB25SJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50393619
(CHEMBL2158530)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)C1CCN(CC(O)CF)CC1 Show InChI InChI=1S/C28H32FN5O3/c1-36-26-6-4-3-5-23(26)25-10-8-21-17-30-28(32-34(21)25)31-24-9-7-20(15-27(24)37-2)19-11-13-33(14-12-19)18-22(35)16-29/h3-10,15,17,19,22,35H,11-14,16,18H2,1-2H3,(H,31,32) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human ALK cytoplasmic domain (1058-1620) expressed in Sf21 insect cells using GST-tagged human recombinant PLC-gamma/substra... |
J Med Chem 55: 115-25 (2012)
Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50393618
(CHEMBL2158528)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)C1CCN(C[C@@H](C)O)CC1 |r| Show InChI InChI=1S/C28H33N5O3/c1-19(34)18-32-14-12-20(13-15-32)21-8-10-24(27(16-21)36-3)30-28-29-17-22-9-11-25(33(22)31-28)23-6-4-5-7-26(23)35-2/h4-11,16-17,19-20,34H,12-15,18H2,1-3H3,(H,30,31)/t19-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human ALK cytoplasmic domain (1058-1620) expressed in Sf21 insect cells using GST-tagged human recombinant PLC-gamma/substra... |
J Med Chem 55: 115-25 (2012)
Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50101808
(CHEMBL3398169)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)[C@@]1(O)CCNC[C@@H]1O |r| Show InChI InChI=1S/C25H27N5O4/c1-33-21-6-4-3-5-18(21)20-10-8-17-14-27-24(29-30(17)20)28-19-9-7-16(13-22(19)34-2)25(32)11-12-26-15-23(25)31/h3-10,13-14,23,26,31-32H,11-12,15H2,1-2H3,(H,28,29)/t23-,25-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK (unknown origin) by enzymatic assay |
Bioorg Med Chem Lett 25: 1047-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.019
BindingDB Entry DOI: 10.7270/Q2GB25SJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50393617
(CHEMBL2158519)Show SMILES COc1cc(ccc1Nc1ncc2c(Cl)cc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)C1CCN(CC(N)=O)CC1 Show InChI InChI=1S/C28H32ClN7O4S/c1-34(41(3,38)39)23-7-5-4-6-20(23)24-15-21(29)25-16-31-28(33-36(24)25)32-22-9-8-19(14-26(22)40-2)18-10-12-35(13-11-18)17-27(30)37/h4-9,14-16,18H,10-13,17H2,1-3H3,(H2,30,37)(H,32,33) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human ALK cytoplasmic domain (1058-1620) expressed in Sf21 insect cells using GST-tagged human recombinant PLC-gamma/substra... |
J Med Chem 55: 115-25 (2012)
Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50101802
(CHEMBL3398175)Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3OC)[C@H]3CCN(CCO)C[C@@H]3O)nn12 |r| Show InChI InChI=1S/C27H31N5O4/c1-35-25-6-4-3-5-21(25)23-10-8-19-16-28-27(30-32(19)23)29-22-9-7-18(15-26(22)36-2)20-11-12-31(13-14-33)17-24(20)34/h3-10,15-16,20,24,33-34H,11-14,17H2,1-2H3,(H,29,30)/t20-,24+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK (unknown origin) by enzymatic assay |
Bioorg Med Chem Lett 25: 1047-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.019
BindingDB Entry DOI: 10.7270/Q2GB25SJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50393616
(CHEMBL2158525)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)C1CCN(CCO)CC1 Show InChI InChI=1S/C28H34N6O4S/c1-32(39(3,36)37)25-7-5-4-6-23(25)26-11-9-22-19-29-28(31-34(22)26)30-24-10-8-21(18-27(24)38-2)20-12-14-33(15-13-20)16-17-35/h4-11,18-20,35H,12-17H2,1-3H3,(H,30,31) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human ALK cytoplasmic domain (1058-1620) expressed in Sf21 insect cells using GST-tagged human recombinant PLC-gamma/substra... |
J Med Chem 55: 115-25 (2012)
Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50393615
(CHEMBL2158526)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)C1CCN(C[C@@H](C)O)CC1 |r| Show InChI InChI=1S/C29H36N6O4S/c1-20(36)19-34-15-13-21(14-16-34)22-9-11-25(28(17-22)39-3)31-29-30-18-23-10-12-27(35(23)32-29)24-7-5-6-8-26(24)33(2)40(4,37)38/h5-12,17-18,20-21,36H,13-16,19H2,1-4H3,(H,31,32)/t20-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human ALK cytoplasmic domain (1058-1620) expressed in Sf21 insect cells using GST-tagged human recombinant PLC-gamma/substra... |
J Med Chem 55: 115-25 (2012)
Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50393614
(CHEMBL2158529)Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3OC)C3CCN(C)CC3)nn12 Show InChI InChI=1S/C26H29N5O2/c1-30-14-12-18(13-15-30)19-8-10-22(25(16-19)33-3)28-26-27-17-20-9-11-23(31(20)29-26)21-6-4-5-7-24(21)32-2/h4-11,16-18H,12-15H2,1-3H3,(H,28,29) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human ALK cytoplasmic domain (1058-1620) expressed in Sf21 insect cells using GST-tagged human recombinant PLC-gamma/substra... |
J Med Chem 55: 115-25 (2012)
Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50361205
(CHEMBL1934334)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)C1CCN(CC(N)=O)CC1 Show InChI InChI=1S/C27H30N6O3/c1-35-24-6-4-3-5-21(24)23-10-8-20-16-29-27(31-33(20)23)30-22-9-7-19(15-25(22)36-2)18-11-13-32(14-12-18)17-26(28)34/h3-10,15-16,18H,11-14,17H2,1-2H3,(H2,28,34)(H,30,31) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human ALK cytoplasmic domain (1058-1620) expressed in Sf21 insect cells using GST-tagged human recombinant PLC-gamma/substra... |
J Med Chem 55: 115-25 (2012)
Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50393613
(CHEMBL2158518)Show SMILES COc1cc(ccc1Nc1ncc2c(C)cc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)C1CCN(CC(N)=O)CC1 Show InChI InChI=1S/C29H35N7O4S/c1-19-15-25(22-7-5-6-8-24(22)34(2)41(4,38)39)36-26(19)17-31-29(33-36)32-23-10-9-21(16-27(23)40-3)20-11-13-35(14-12-20)18-28(30)37/h5-10,15-17,20H,11-14,18H2,1-4H3,(H2,30,37)(H,32,33) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human ALK cytoplasmic domain (1058-1620) expressed in Sf21 insect cells using GST-tagged human recombinant PLC-gamma/substra... |
J Med Chem 55: 115-25 (2012)
Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50101806
(CHEMBL3398171)Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3OC)[C@@]3(O)CCN(CC(N)=O)C[C@@H]3O)nn12 |r| Show InChI InChI=1S/C27H30N6O5/c1-37-22-6-4-3-5-19(22)21-10-8-18-14-29-26(31-33(18)21)30-20-9-7-17(13-23(20)38-2)27(36)11-12-32(15-24(27)34)16-25(28)35/h3-10,13-14,24,34,36H,11-12,15-16H2,1-2H3,(H2,28,35)(H,30,31)/t24-,27-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK (unknown origin) by enzymatic assay |
Bioorg Med Chem Lett 25: 1047-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.019
BindingDB Entry DOI: 10.7270/Q2GB25SJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50101809
(CHEMBL3398168)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)[C@@]1(O)CCNC[C@@H]1O |r| Show InChI InChI=1S/C26H30N6O5S/c1-31(38(3,35)36)21-7-5-4-6-19(21)22-11-9-18-15-28-25(30-32(18)22)29-20-10-8-17(14-23(20)37-2)26(34)12-13-27-16-24(26)33/h4-11,14-15,24,27,33-34H,12-13,16H2,1-3H3,(H,29,30)/t24-,26-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK (unknown origin) by enzymatic assay |
Bioorg Med Chem Lett 25: 1047-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.019
BindingDB Entry DOI: 10.7270/Q2GB25SJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50393612
(CHEMBL2158586)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)C1CCN(CC1)C(=O)C(C)(C)N Show InChI InChI=1S/C29H34N6O3/c1-29(2,30)27(36)34-15-13-19(14-16-34)20-9-11-23(26(17-20)38-4)32-28-31-18-21-10-12-24(35(21)33-28)22-7-5-6-8-25(22)37-3/h5-12,17-19H,13-16,30H2,1-4H3,(H,32,33) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human ALK cytoplasmic domain (1058-1620) expressed in Sf21 insect cells using GST-tagged human recombinant PLC-gamma/substra... |
J Med Chem 55: 115-25 (2012)
Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50101804
(CHEMBL3397057)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)[C@@H]1CCNC[C@@H]1O |r| Show InChI InChI=1S/C25H27N5O3/c1-32-23-6-4-3-5-19(23)21-10-8-17-14-27-25(29-30(17)21)28-20-9-7-16(13-24(20)33-2)18-11-12-26-15-22(18)31/h3-10,13-14,18,22,26,31H,11-12,15H2,1-2H3,(H,28,29)/t18-,22-/m0/s1 | PDB
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| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK (unknown origin) by enzymatic assay |
Bioorg Med Chem Lett 25: 1047-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.019
BindingDB Entry DOI: 10.7270/Q2GB25SJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50393611
(CHEMBL2158515)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccncc3OC)n2n1)C1CCN(CC(N)=O)CC1 Show InChI InChI=1S/C26H29N7O3/c1-35-23-13-18(17-8-11-32(12-9-17)16-25(27)34)3-5-21(23)30-26-29-14-19-4-6-22(33(19)31-26)20-7-10-28-15-24(20)36-2/h3-7,10,13-15,17H,8-9,11-12,16H2,1-2H3,(H2,27,34)(H,30,31) | PDB
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Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human ALK cytoplasmic domain (1058-1620) expressed in Sf21 insect cells using GST-tagged human recombinant PLC-gamma/substra... |
J Med Chem 55: 115-25 (2012)
Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50393610
(CHEMBL2158527)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)C1CCNCC1 Show InChI InChI=1S/C26H30N6O3S/c1-31(36(3,33)34)23-7-5-4-6-21(23)24-11-9-20-17-28-26(30-32(20)24)29-22-10-8-19(16-25(22)35-2)18-12-14-27-15-13-18/h4-11,16-18,27H,12-15H2,1-3H3,(H,29,30) | PDB
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Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human ALK cytoplasmic domain (1058-1620) expressed in Sf21 insect cells using GST-tagged human recombinant PLC-gamma/substra... |
J Med Chem 55: 115-25 (2012)
Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50353046
(CHEMBL1822525)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)N1CCN(C[C@H](C)O)CC1 |r| Show InChI InChI=1S/C28H35N7O4S/c1-20(36)19-33-13-15-34(16-14-33)21-9-11-24(27(17-21)39-3)30-28-29-18-22-10-12-26(35(22)31-28)23-7-5-6-8-25(23)32(2)40(4,37)38/h5-12,17-18,20,36H,13-16,19H2,1-4H3,(H,30,31)/t20-/m0/s1 | PDB
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Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human ALK cytoplasmic domain (1058-1620) expressed in Sf21 insect cells using GST-tagged human recombinant PLC-gamma/substra... |
J Med Chem 55: 115-25 (2012)
Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50393609
(CHEMBL2158511)Show SMILES CNC(=O)CN1CCC(CC1)c1ccc(Nc2ncc3ccc(-c4ccccc4OC)n3n2)c(OC)c1 Show InChI InChI=1S/C28H32N6O3/c1-29-27(35)18-33-14-12-19(13-15-33)20-8-10-23(26(16-20)37-3)31-28-30-17-21-9-11-24(34(21)32-28)22-6-4-5-7-25(22)36-2/h4-11,16-17,19H,12-15,18H2,1-3H3,(H,29,35)(H,31,32) | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human ALK cytoplasmic domain (1058-1620) expressed in Sf21 insect cells using GST-tagged human recombinant PLC-gamma/substra... |
J Med Chem 55: 115-25 (2012)
Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50393607
(CHEMBL2158517)Show SMILES COc1cc(ccc1Nc1ncc2c(O)cc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)C1CCN(CC(N)=O)CC1 Show InChI InChI=1S/C28H33N7O5S/c1-33(41(3,38)39)22-7-5-4-6-20(22)23-15-25(36)24-16-30-28(32-35(23)24)31-21-9-8-19(14-26(21)40-2)18-10-12-34(13-11-18)17-27(29)37/h4-9,14-16,18,36H,10-13,17H2,1-3H3,(H2,29,37)(H,31,32) | PDB
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Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human ALK cytoplasmic domain (1058-1620) expressed in Sf21 insect cells using GST-tagged human recombinant PLC-gamma/substra... |
J Med Chem 55: 115-25 (2012)
Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50393608
(CHEMBL2158587)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)C1CCN(CC1)C(=O)C1CCN1 Show InChI InChI=1S/C29H32N6O3/c1-37-26-6-4-3-5-22(26)25-10-8-21-18-31-29(33-35(21)25)32-23-9-7-20(17-27(23)38-2)19-12-15-34(16-13-19)28(36)24-11-14-30-24/h3-10,17-19,24,30H,11-16H2,1-2H3,(H,32,33) | PDB
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Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human ALK cytoplasmic domain (1058-1620) expressed in Sf21 insect cells using GST-tagged human recombinant PLC-gamma/substra... |
J Med Chem 55: 115-25 (2012)
Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50393622
(CHEMBL2158512)Show SMILES COc1ccc(-c2ccc3cnc(Nc4ccc(cc4OC)C4CCN(CC(N)=O)CC4)nn23)c(OC)c1 Show InChI InChI=1S/C28H32N6O4/c1-36-21-6-7-22(25(15-21)37-2)24-9-5-20-16-30-28(32-34(20)24)31-23-8-4-19(14-26(23)38-3)18-10-12-33(13-11-18)17-27(29)35/h4-9,14-16,18H,10-13,17H2,1-3H3,(H2,29,35)(H,31,32) | PDB
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human ALK cytoplasmic domain (1058-1620) expressed in Sf21 insect cells using GST-tagged human recombinant PLC-gamma/substra... |
J Med Chem 55: 115-25 (2012)
Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50393625
(CHEMBL2158521)Show SMILES COc1cc(N2CCN(C[C@H](C)O)CC2)c(F)cc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1 |r| Show InChI InChI=1S/C28H34FN7O4S/c1-19(37)18-34-11-13-35(14-12-34)26-16-27(40-3)23(15-22(26)29)31-28-30-17-20-9-10-25(36(20)32-28)21-7-5-6-8-24(21)33(2)41(4,38)39/h5-10,15-17,19,37H,11-14,18H2,1-4H3,(H,31,32)/t19-/m0/s1 | PDB
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| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human ALK cytoplasmic domain (1058-1620) expressed in Sf21 insect cells using GST-tagged human recombinant PLC-gamma/substra... |
J Med Chem 55: 115-25 (2012)
Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50101807
(CHEMBL3398170)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)[C@@]1(O)CCN(CC(N)=O)C[C@@H]1O |r| Show InChI InChI=1S/C28H33N7O6S/c1-33(42(3,39)40)22-7-5-4-6-20(22)23-11-9-19-15-30-27(32-35(19)23)31-21-10-8-18(14-24(21)41-2)28(38)12-13-34(16-25(28)36)17-26(29)37/h4-11,14-15,25,36,38H,12-13,16-17H2,1-3H3,(H2,29,37)(H,31,32)/t25-,28-/m0/s1 | PDB
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK (unknown origin) by enzymatic assay |
Bioorg Med Chem Lett 25: 1047-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.019
BindingDB Entry DOI: 10.7270/Q2GB25SJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50393624
(CHEMBL2158516)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)C1CCN(CC(N)=O)CC1 Show InChI InChI=1S/C28H33N7O4S/c1-33(40(3,37)38)24-7-5-4-6-22(24)25-11-9-21-17-30-28(32-35(21)25)31-23-10-8-20(16-26(23)39-2)19-12-14-34(15-13-19)18-27(29)36/h4-11,16-17,19H,12-15,18H2,1-3H3,(H2,29,36)(H,31,32) | PDB
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Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human ALK cytoplasmic domain (1058-1620) expressed in Sf21 insect cells using GST-tagged human recombinant PLC-gamma/substra... |
J Med Chem 55: 115-25 (2012)
Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50101811
(CHEMBL3398173)Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3OC)[C@@H]3CCN(CC(N)=O)C[C@@H]3O)nn12 |r| Show InChI InChI=1S/C27H30N6O4/c1-36-24-6-4-3-5-20(24)22-10-8-18-14-29-27(31-33(18)22)30-21-9-7-17(13-25(21)37-2)19-11-12-32(15-23(19)34)16-26(28)35/h3-10,13-14,19,23,34H,11-12,15-16H2,1-2H3,(H2,28,35)(H,30,31)/t19-,23-/m0/s1 | PDB
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Teva Branded Pharmaceutical Products R&D, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK (unknown origin) by enzymatic assay |
Bioorg Med Chem Lett 25: 1047-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.019
BindingDB Entry DOI: 10.7270/Q2GB25SJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50393623
(CHEMBL2158513)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3C#N)n2n1)C1CCN(CC(N)=O)CC1 Show InChI InChI=1S/C27H27N7O2/c1-36-25-14-19(18-10-12-33(13-11-18)17-26(29)35)6-8-23(25)31-27-30-16-21-7-9-24(34(21)32-27)22-5-3-2-4-20(22)15-28/h2-9,14,16,18H,10-13,17H2,1H3,(H2,29,35)(H,31,32) | PDB
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Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human ALK cytoplasmic domain (1058-1620) expressed in Sf21 insect cells using GST-tagged human recombinant PLC-gamma/substra... |
J Med Chem 55: 115-25 (2012)
Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50393629
(CHEMBL2158523)Show SMILES COc1ccc(cc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)N1CCN(C)CC1 Show InChI InChI=1S/C26H31N7O3S/c1-30-13-15-32(16-14-30)19-10-12-25(36-3)22(17-19)28-26-27-18-20-9-11-24(33(20)29-26)21-7-5-6-8-23(21)31(2)37(4,34)35/h5-12,17-18H,13-16H2,1-4H3,(H,28,29) | PDB
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| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human ALK cytoplasmic domain (1058-1620) expressed in Sf21 insect cells using GST-tagged human recombinant PLC-gamma/substra... |
J Med Chem 55: 115-25 (2012)
Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50101810
(CHEMBL3398166)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)[C@@]1(O)CCN(C)C[C@@H]1O |r| Show InChI InChI=1S/C26H29N5O4/c1-30-13-12-26(33,24(32)16-30)17-8-10-20(23(14-17)35-3)28-25-27-15-18-9-11-21(31(18)29-25)19-6-4-5-7-22(19)34-2/h4-11,14-15,24,32-33H,12-13,16H2,1-3H3,(H,28,29)/t24-,26-/m0/s1 | PDB
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK (unknown origin) by cellular assay |
Bioorg Med Chem Lett 25: 1047-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.019
BindingDB Entry DOI: 10.7270/Q2GB25SJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50101805
(CHEMBL3398172)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)C1CCN(C)CC1O Show InChI InChI=1S/C26H29N5O3/c1-30-13-12-19(23(32)16-30)17-8-10-21(25(14-17)34-3)28-26-27-15-18-9-11-22(31(18)29-26)20-6-4-5-7-24(20)33-2/h4-11,14-15,19,23,32H,12-13,16H2,1-3H3,(H,28,29) | PDB
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK (unknown origin) by cellular assay |
Bioorg Med Chem Lett 25: 1047-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.019
BindingDB Entry DOI: 10.7270/Q2GB25SJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50393620
(CHEMBL2158531)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)C1CCN(C[C@H](O)CO)CC1 |r| Show InChI InChI=1S/C28H33N5O4/c1-36-26-6-4-3-5-23(26)25-10-8-21-16-29-28(31-33(21)25)30-24-9-7-20(15-27(24)37-2)19-11-13-32(14-12-19)17-22(35)18-34/h3-10,15-16,19,22,34-35H,11-14,17-18H2,1-2H3,(H,30,31)/t22-/m0/s1 | PDB
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NPM-ALK phosphorylation using 4-MeUP substrate by cell based assay |
J Med Chem 55: 115-25 (2012)
Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50393610
(CHEMBL2158527)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)C1CCNCC1 Show InChI InChI=1S/C26H30N6O3S/c1-31(36(3,33)34)23-7-5-4-6-21(23)24-11-9-20-17-28-26(30-32(20)24)29-22-10-8-19(16-25(22)35-2)18-12-14-27-15-13-18/h4-11,16-18,27H,12-15H2,1-3H3,(H,29,30) | PDB
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NPM-ALK phosphorylation using 4-MeUP substrate by cell based assay |
J Med Chem 55: 115-25 (2012)
Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50101808
(CHEMBL3398169)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)[C@@]1(O)CCNC[C@@H]1O |r| Show InChI InChI=1S/C25H27N5O4/c1-33-21-6-4-3-5-18(21)20-10-8-17-14-27-24(29-30(17)20)28-19-9-7-16(13-22(19)34-2)25(32)11-12-26-15-23(25)31/h3-10,13-14,23,26,31-32H,11-12,15H2,1-2H3,(H,28,29)/t23-,25-/m0/s1 | PDB
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK (unknown origin) by cellular assay |
Bioorg Med Chem Lett 25: 1047-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.019
BindingDB Entry DOI: 10.7270/Q2GB25SJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50101802
(CHEMBL3398175)Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3OC)[C@H]3CCN(CCO)C[C@@H]3O)nn12 |r| Show InChI InChI=1S/C27H31N5O4/c1-35-25-6-4-3-5-21(25)23-10-8-19-16-28-27(30-32(19)23)29-22-9-7-18(15-26(22)36-2)20-11-12-31(13-14-33)17-24(20)34/h3-10,15-16,20,24,33-34H,11-14,17H2,1-2H3,(H,29,30)/t20-,24+/m1/s1 | PDB
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| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK (unknown origin) by cellular assay |
Bioorg Med Chem Lett 25: 1047-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.019
BindingDB Entry DOI: 10.7270/Q2GB25SJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50393628
(CHEMBL2158520)Show SMILES COc1c(Nc2ncc3ccc(-c4ccccc4N(C)S(C)(=O)=O)n3n2)ccc(N2CCN(C[C@H](C)O)CC2)c1F |r| Show InChI InChI=1S/C28H34FN7O4S/c1-19(37)18-34-13-15-35(16-14-34)25-12-10-22(27(40-3)26(25)29)31-28-30-17-20-9-11-24(36(20)32-28)21-7-5-6-8-23(21)33(2)41(4,38)39/h5-12,17,19,37H,13-16,18H2,1-4H3,(H,31,32)/t19-/m0/s1 | PDB
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| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human ALK cytoplasmic domain (1058-1620) expressed in Sf21 insect cells using GST-tagged human recombinant PLC-gamma/substra... |
J Med Chem 55: 115-25 (2012)
Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50103367
(CHEMBL3398167)Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3OC)[C@@]3(O)CCN(C[C@@H]3O)C(=O)OC(C)(C)C)nn12 |r| Show InChI InChI=1S/C30H35N5O6/c1-29(2,3)41-28(37)34-15-14-30(38,26(36)18-34)19-10-12-22(25(16-19)40-5)32-27-31-17-20-11-13-23(35(20)33-27)21-8-6-7-9-24(21)39-4/h6-13,16-17,26,36,38H,14-15,18H2,1-5H3,(H,32,33)/t26-,30-/m0/s1 | PDB
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| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK (unknown origin) by enzymatic assay |
Bioorg Med Chem Lett 25: 1047-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.019
BindingDB Entry DOI: 10.7270/Q2GB25SJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50353046
(CHEMBL1822525)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)N1CCN(C[C@H](C)O)CC1 |r| Show InChI InChI=1S/C28H35N7O4S/c1-20(36)19-33-13-15-34(16-14-33)21-9-11-24(27(17-21)39-3)30-28-29-18-22-10-12-26(35(22)31-28)23-7-5-6-8-25(23)32(2)40(4,37)38/h5-12,17-18,20,36H,13-16,19H2,1-4H3,(H,30,31)/t20-/m0/s1 | PDB
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| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NPM-ALK phosphorylation using 4-MeUP substrate by cell based assay |
J Med Chem 55: 115-25 (2012)
Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50393616
(CHEMBL2158525)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)C1CCN(CCO)CC1 Show InChI InChI=1S/C28H34N6O4S/c1-32(39(3,36)37)25-7-5-4-6-23(25)26-11-9-22-19-29-28(31-34(22)26)30-24-10-8-21(18-27(24)38-2)20-12-14-33(15-13-20)16-17-35/h4-11,18-20,35H,12-17H2,1-3H3,(H,30,31) | PDB
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| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NPM-ALK phosphorylation using 4-MeUP substrate by cell based assay |
J Med Chem 55: 115-25 (2012)
Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50101806
(CHEMBL3398171)Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3OC)[C@@]3(O)CCN(CC(N)=O)C[C@@H]3O)nn12 |r| Show InChI InChI=1S/C27H30N6O5/c1-37-22-6-4-3-5-19(22)21-10-8-18-14-29-26(31-33(18)21)30-20-9-7-17(13-23(20)38-2)27(36)11-12-32(15-24(27)34)16-25(28)35/h3-10,13-14,24,34,36H,11-12,15-16H2,1-2H3,(H2,28,35)(H,30,31)/t24-,27-/m0/s1 | PDB
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| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK (unknown origin) by cellular assay |
Bioorg Med Chem Lett 25: 1047-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.019
BindingDB Entry DOI: 10.7270/Q2GB25SJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50101803
(CHEMBL3398174)Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3OC)[C@@H]3CCN(CCO)C[C@@H]3O)nn12 |r| Show InChI InChI=1S/C27H31N5O4/c1-35-25-6-4-3-5-21(25)23-10-8-19-16-28-27(30-32(19)23)29-22-9-7-18(15-26(22)36-2)20-11-12-31(13-14-33)17-24(20)34/h3-10,15-16,20,24,33-34H,11-14,17H2,1-2H3,(H,29,30)/t20-,24-/m0/s1 | PDB
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| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Teva Branded Pharmaceutical Products R&D, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of ALK (unknown origin) by cellular assay |
Bioorg Med Chem Lett 25: 1047-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.019
BindingDB Entry DOI: 10.7270/Q2GB25SJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50393614
(CHEMBL2158529)Show SMILES COc1ccccc1-c1ccc2cnc(Nc3ccc(cc3OC)C3CCN(C)CC3)nn12 Show InChI InChI=1S/C26H29N5O2/c1-30-14-12-18(13-15-30)19-8-10-22(25(16-19)33-3)28-26-27-17-20-9-11-23(31(20)29-26)21-6-4-5-7-24(21)32-2/h4-11,16-18H,12-15H2,1-3H3,(H,28,29) | PDB
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| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NPM-ALK phosphorylation using 4-MeUP substrate by cell based assay |
J Med Chem 55: 115-25 (2012)
Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50393613
(CHEMBL2158518)Show SMILES COc1cc(ccc1Nc1ncc2c(C)cc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)C1CCN(CC(N)=O)CC1 Show InChI InChI=1S/C29H35N7O4S/c1-19-15-25(22-7-5-6-8-24(22)34(2)41(4,38)39)36-26(19)17-31-29(33-36)32-23-10-9-21(16-27(23)40-3)20-11-13-35(14-12-20)18-28(30)37/h5-10,15-17,20H,11-14,18H2,1-4H3,(H2,30,37)(H,32,33) | PDB
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| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NPM-ALK phosphorylation using 4-MeUP substrate by cell based assay |
J Med Chem 55: 115-25 (2012)
Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50393617
(CHEMBL2158519)Show SMILES COc1cc(ccc1Nc1ncc2c(Cl)cc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)C1CCN(CC(N)=O)CC1 Show InChI InChI=1S/C28H32ClN7O4S/c1-34(41(3,38)39)23-7-5-4-6-20(23)24-15-21(29)25-16-31-28(33-36(24)25)32-22-9-8-19(14-26(22)40-2)18-10-12-35(13-11-18)17-27(30)37/h4-9,14-16,18H,10-13,17H2,1-3H3,(H2,30,37)(H,32,33) | PDB
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| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NPM-ALK phosphorylation using 4-MeUP substrate by cell based assay |
J Med Chem 55: 115-25 (2012)
Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50393615
(CHEMBL2158526)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)C1CCN(C[C@@H](C)O)CC1 |r| Show InChI InChI=1S/C29H36N6O4S/c1-20(36)19-34-15-13-21(14-16-34)22-9-11-25(28(17-22)39-3)31-29-30-18-23-10-12-27(35(23)32-29)24-7-5-6-8-26(24)33(2)40(4,37)38/h5-12,17-18,20-21,36H,13-16,19H2,1-4H3,(H,31,32)/t20-/m1/s1 | PDB
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| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NPM-ALK phosphorylation using 4-MeUP substrate by cell based assay |
J Med Chem 55: 115-25 (2012)
Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50393619
(CHEMBL2158530)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)C1CCN(CC(O)CF)CC1 Show InChI InChI=1S/C28H32FN5O3/c1-36-26-6-4-3-5-23(26)25-10-8-21-17-30-28(32-34(21)25)31-24-9-7-20(15-27(24)37-2)19-11-13-33(14-12-19)18-22(35)16-29/h3-10,15,17,19,22,35H,11-14,16,18H2,1-2H3,(H,31,32) | PDB
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| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NPM-ALK phosphorylation using 4-MeUP substrate by cell based assay |
J Med Chem 55: 115-25 (2012)
Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor/Nucleophosmin
(Homo sapiens (Human)) | BDBM50393624
(CHEMBL2158516)Show SMILES COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1)C1CCN(CC(N)=O)CC1 Show InChI InChI=1S/C28H33N7O4S/c1-33(40(3,37)38)24-7-5-4-6-22(24)25-11-9-21-17-30-28(32-35(21)25)31-23-10-8-20(16-26(23)39-2)19-12-14-34(15-13-19)18-27(29)36/h4-11,16-17,19H,12-15,18H2,1-3H3,(H2,29,36)(H,31,32) | PDB
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| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NPM-ALK phosphorylation using 4-MeUP substrate by cell based assay |
J Med Chem 55: 115-25 (2012)
Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50393627
(CHEMBL2158522)Show SMILES C[C@H](O)CN1CCN(CC1)c1cc(F)c(Nc2ncc3ccc(-c4ccccc4N(C)S(C)(=O)=O)n3n2)cc1F |r| Show InChI InChI=1S/C27H31F2N7O3S/c1-18(37)17-34-10-12-35(13-11-34)26-15-21(28)23(14-22(26)29)31-27-30-16-19-8-9-25(36(19)32-27)20-6-4-5-7-24(20)33(2)40(3,38)39/h4-9,14-16,18,37H,10-13,17H2,1-3H3,(H,31,32)/t18-/m0/s1 | PDB
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| n/a | n/a | 91 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human ALK cytoplasmic domain (1058-1620) expressed in Sf21 insect cells using GST-tagged human recombinant PLC-gamma/substra... |
J Med Chem 55: 115-25 (2012)
Article DOI: 10.1021/jm2010767
BindingDB Entry DOI: 10.7270/Q2G73FV3 |
More data for this
Ligand-Target Pair | |
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