Found 28 hits of Enzyme Inhibition Constant Data 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)) | BDBM50439157
(CHEMBL2418752)Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4cccc(F)c4)c3)c2c1 Show InChI InChI=1S/C21H17FN6/c1-27-12-16(8-25-27)15-6-19-20(10-24-21(19)23-7-15)17-9-26-28(13-17)11-14-3-2-4-18(22)5-14/h2-10,12-13H,11H2,1H3,(H,23,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Ltd
Curated by ChEMBL
| Assay Description
Inhibition of wild type human recombinant ALK after 30 mins by TR-FRET assay |
Bioorg Med Chem Lett 23: 4911-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.071
BindingDB Entry DOI: 10.7270/Q2BK1DS7 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50439162
(CHEMBL2418763)Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4cc(F)cc(F)c4)c3)c2c1 Show InChI InChI=1S/C21H16F2N6/c1-28-11-15(7-26-28)14-4-19-20(9-25-21(19)24-6-14)16-8-27-29(12-16)10-13-2-17(22)5-18(23)3-13/h2-9,11-12H,10H2,1H3,(H,24,25) | 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 |
Aurigene Discovery Technologies Ltd
Curated by ChEMBL
| Assay Description
Inhibition of wild type human recombinant ALK after 30 mins by TR-FRET assay |
Bioorg Med Chem Lett 23: 4911-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.071
BindingDB Entry DOI: 10.7270/Q2BK1DS7 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50439161
(CHEMBL2418746)Show SMILES Cc1nn(Cc2cccc(F)c2)cc1-c1c[nH]c2ncc(cc12)-c1cnn(C)c1 Show InChI InChI=1S/C22H19FN6/c1-14-21(13-29(27-14)11-15-4-3-5-18(23)6-15)20-10-25-22-19(20)7-16(8-24-22)17-9-26-28(2)12-17/h3-10,12-13H,11H2,1-2H3,(H,24,25) | 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 |
Aurigene Discovery Technologies Ltd
Curated by ChEMBL
| Assay Description
Inhibition of wild type human recombinant ALK after 30 mins by TR-FRET assay |
Bioorg Med Chem Lett 23: 4911-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.071
BindingDB Entry DOI: 10.7270/Q2BK1DS7 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50439158
(CHEMBL2418749)Show SMILES Cc1nn(Cc2cc(F)cc(F)c2)c(C)c1-c1c[nH]c2ncc(cc12)-c1cnn(C)c1 |(51.55,-16.45,;53.08,-16.45,;53.98,-15.21,;55.45,-15.68,;56.7,-14.78,;58.11,-15.4,;59.35,-14.5,;60.76,-15.12,;62,-14.22,;60.92,-16.66,;59.67,-17.56,;59.83,-19.09,;58.27,-16.93,;55.45,-17.22,;56.69,-18.12,;53.98,-17.7,;53.51,-19.17,;54.42,-20.41,;53.51,-21.65,;52.05,-21.18,;50.71,-21.95,;49.38,-21.18,;49.38,-19.64,;50.71,-18.87,;52.05,-19.64,;48.05,-18.87,;46.64,-19.5,;45.61,-18.35,;46.38,-17.02,;45.75,-15.61,;47.88,-17.33,)| Show InChI InChI=1S/C23H20F2N6/c1-13-22(14(2)31(29-13)11-15-4-18(24)7-19(25)5-15)21-10-27-23-20(21)6-16(8-26-23)17-9-28-30(3)12-17/h4-10,12H,11H2,1-3H3,(H,26,27) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Ltd
Curated by ChEMBL
| Assay Description
Inhibition of wild type human recombinant ALK after 30 mins by TR-FRET assay |
Bioorg Med Chem Lett 23: 4911-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.071
BindingDB Entry DOI: 10.7270/Q2BK1DS7 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50439164
(CHEMBL2418759)Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4cccc(N)c4)c3)c2c1 Show InChI InChI=1S/C21H19N7/c1-27-12-16(8-25-27)15-6-19-20(10-24-21(19)23-7-15)17-9-26-28(13-17)11-14-3-2-4-18(22)5-14/h2-10,12-13H,11,22H2,1H3,(H,23,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
Aurigene Discovery Technologies Ltd
Curated by ChEMBL
| Assay Description
Inhibition of wild type human recombinant ALK after 30 mins by TR-FRET assay |
Bioorg Med Chem Lett 23: 4911-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.071
BindingDB Entry DOI: 10.7270/Q2BK1DS7 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50439154
(CHEMBL2418761)Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4cc(F)ccc4F)c3)c2c1 Show InChI InChI=1S/C21H16F2N6/c1-28-10-15(7-26-28)13-5-18-19(9-25-21(18)24-6-13)16-8-27-29(12-16)11-14-4-17(22)2-3-20(14)23/h2-10,12H,11H2,1H3,(H,24,25) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Ltd
Curated by ChEMBL
| Assay Description
Inhibition of wild type human recombinant ALK after 30 mins by TR-FRET assay |
Bioorg Med Chem Lett 23: 4911-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.071
BindingDB Entry DOI: 10.7270/Q2BK1DS7 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50439155
(CHEMBL2418754)Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4cccc(Cl)c4)c3)c2c1 Show InChI InChI=1S/C21H17ClN6/c1-27-12-16(8-25-27)15-6-19-20(10-24-21(19)23-7-15)17-9-26-28(13-17)11-14-3-2-4-18(22)5-14/h2-10,12-13H,11H2,1H3,(H,23,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Ltd
Curated by ChEMBL
| Assay Description
Inhibition of wild type human recombinant ALK after 30 mins by TR-FRET assay |
Bioorg Med Chem Lett 23: 4911-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.071
BindingDB Entry DOI: 10.7270/Q2BK1DS7 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50439160
(CHEMBL2418747)Show SMILES Cc1nn(Cc2cccc(F)c2)c(C)c1-c1c[nH]c2ncc(cc12)-c1cnn(C)c1 |(9.72,-16.45,;11.25,-16.45,;12.15,-15.2,;13.62,-15.68,;14.86,-14.78,;16.27,-15.4,;16.43,-16.93,;17.84,-17.56,;19.09,-16.65,;18.93,-15.12,;20.17,-14.22,;17.52,-14.5,;13.62,-17.22,;14.86,-18.12,;12.15,-17.7,;11.68,-19.16,;12.59,-20.4,;11.68,-21.65,;10.21,-21.18,;8.88,-21.94,;7.54,-21.18,;7.54,-19.64,;8.88,-18.86,;10.21,-19.64,;6.22,-18.86,;4.81,-19.49,;3.78,-18.35,;4.55,-17.01,;3.92,-15.61,;6.05,-17.33,)| Show InChI InChI=1S/C23H21FN6/c1-14-22(15(2)30(28-14)12-16-5-4-6-19(24)7-16)21-11-26-23-20(21)8-17(9-25-23)18-10-27-29(3)13-18/h4-11,13H,12H2,1-3H3,(H,25,26) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Ltd
Curated by ChEMBL
| Assay Description
Inhibition of wild type human recombinant ALK after 30 mins by TR-FRET assay |
Bioorg Med Chem Lett 23: 4911-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.071
BindingDB Entry DOI: 10.7270/Q2BK1DS7 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50439168
(CHEMBL2418755)Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4cccc(c4)C#N)c3)c2c1 Show InChI InChI=1S/C22H17N7/c1-28-13-18(9-26-28)17-6-20-21(11-25-22(20)24-8-17)19-10-27-29(14-19)12-16-4-2-3-15(5-16)7-23/h2-6,8-11,13-14H,12H2,1H3,(H,24,25) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Ltd
Curated by ChEMBL
| Assay Description
Inhibition of wild type human recombinant ALK after 30 mins by TR-FRET assay |
Bioorg Med Chem Lett 23: 4911-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.071
BindingDB Entry DOI: 10.7270/Q2BK1DS7 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50439163
(CHEMBL2418760)Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4cccc(O)c4)c3)c2c1 Show InChI InChI=1S/C21H18N6O/c1-26-12-16(8-24-26)15-6-19-20(10-23-21(19)22-7-15)17-9-25-27(13-17)11-14-3-2-4-18(28)5-14/h2-10,12-13,28H,11H2,1H3,(H,22,23) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Ltd
Curated by ChEMBL
| Assay Description
Inhibition of wild type human recombinant ALK after 30 mins by TR-FRET assay |
Bioorg Med Chem Lett 23: 4911-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.071
BindingDB Entry DOI: 10.7270/Q2BK1DS7 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50439159
(CHEMBL2418748)Show SMILES Cc1nn(Cc2cc(F)ccc2F)c(C)c1-c1c[nH]c2ncc(cc12)-c1cnn(C)c1 |(29.69,-16.48,;31.22,-16.48,;32.12,-15.24,;33.59,-15.71,;34.83,-14.81,;36.24,-15.43,;36.4,-16.96,;37.81,-17.6,;37.97,-19.12,;39.06,-16.69,;38.9,-15.15,;37.49,-14.53,;37.33,-13.01,;33.59,-17.25,;34.83,-18.15,;32.12,-17.73,;31.65,-19.2,;32.55,-20.44,;31.65,-21.68,;30.18,-21.21,;28.85,-21.98,;27.51,-21.21,;27.51,-19.67,;28.85,-18.9,;30.18,-19.67,;26.18,-18.9,;24.78,-19.53,;23.74,-18.38,;24.52,-17.05,;23.89,-15.64,;26.02,-17.36,)| Show InChI InChI=1S/C23H20F2N6/c1-13-22(14(2)31(29-13)12-16-6-18(24)4-5-21(16)25)20-10-27-23-19(20)7-15(8-26-23)17-9-28-30(3)11-17/h4-11H,12H2,1-3H3,(H,26,27) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Aurigene Discovery Technologies Ltd
Curated by ChEMBL
| Assay Description
Inhibition of wild type human recombinant ALK after 30 mins by TR-FRET assay |
Bioorg Med Chem Lett 23: 4911-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.071
BindingDB Entry DOI: 10.7270/Q2BK1DS7 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50439156
(CHEMBL2418753)Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4ccc(F)cc4)c3)c2c1 Show InChI InChI=1S/C21H17FN6/c1-27-12-16(8-25-27)15-6-19-20(10-24-21(19)23-7-15)17-9-26-28(13-17)11-14-2-4-18(22)5-3-14/h2-10,12-13H,11H2,1H3,(H,23,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Ltd
Curated by ChEMBL
| Assay Description
Inhibition of wild type human recombinant ALK after 30 mins by TR-FRET assay |
Bioorg Med Chem Lett 23: 4911-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.071
BindingDB Entry DOI: 10.7270/Q2BK1DS7 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50439165
(CHEMBL2418758)Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4cccc(c4)[N+]([O-])=O)c3)c2c1 Show InChI InChI=1S/C21H17N7O2/c1-26-12-16(8-24-26)15-6-19-20(10-23-21(19)22-7-15)17-9-25-27(13-17)11-14-3-2-4-18(5-14)28(29)30/h2-10,12-13H,11H2,1H3,(H,22,23) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Ltd
Curated by ChEMBL
| Assay Description
Inhibition of wild type human recombinant ALK after 30 mins by TR-FRET assay |
Bioorg Med Chem Lett 23: 4911-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.071
BindingDB Entry DOI: 10.7270/Q2BK1DS7 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50439153
(CHEMBL2418762)Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4ccc(F)c(F)c4)c3)c2c1 Show InChI InChI=1S/C21H16F2N6/c1-28-11-15(7-26-28)14-5-17-18(9-25-21(17)24-6-14)16-8-27-29(12-16)10-13-2-3-19(22)20(23)4-13/h2-9,11-12H,10H2,1H3,(H,24,25) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 84 | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Ltd
Curated by ChEMBL
| Assay Description
Inhibition of wild type human recombinant ALK after 30 mins by TR-FRET assay |
Bioorg Med Chem Lett 23: 4911-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.071
BindingDB Entry DOI: 10.7270/Q2BK1DS7 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50439169
(CHEMBL2418751)Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4ccccc4F)c3)c2c1 Show InChI InChI=1S/C21H17FN6/c1-27-11-16(8-25-27)15-6-18-19(10-24-21(18)23-7-15)17-9-26-28(13-17)12-14-4-2-3-5-20(14)22/h2-11,13H,12H2,1H3,(H,23,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Ltd
Curated by ChEMBL
| Assay Description
Inhibition of wild type human recombinant ALK after 30 mins by TR-FRET assay |
Bioorg Med Chem Lett 23: 4911-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.071
BindingDB Entry DOI: 10.7270/Q2BK1DS7 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50439170
(CHEMBL2418750)Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4ccccc4)c3)c2c1 Show InChI InChI=1S/C21H18N6/c1-26-13-17(9-24-26)16-7-19-20(11-23-21(19)22-8-16)18-10-25-27(14-18)12-15-5-3-2-4-6-15/h2-11,13-14H,12H2,1H3,(H,22,23) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Ltd
Curated by ChEMBL
| Assay Description
Inhibition of wild type human recombinant ALK after 30 mins by TR-FRET assay |
Bioorg Med Chem Lett 23: 4911-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.071
BindingDB Entry DOI: 10.7270/Q2BK1DS7 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50439166
(CHEMBL2418757)Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4cccc(c4)C(O)=O)c3)c2c1 Show InChI InChI=1S/C22H18N6O2/c1-27-12-17(8-25-27)16-6-19-20(10-24-21(19)23-7-16)18-9-26-28(13-18)11-14-3-2-4-15(5-14)22(29)30/h2-10,12-13H,11H2,1H3,(H,23,24)(H,29,30) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Ltd
Curated by ChEMBL
| Assay Description
Inhibition of wild type human recombinant ALK after 30 mins by TR-FRET assay |
Bioorg Med Chem Lett 23: 4911-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.071
BindingDB Entry DOI: 10.7270/Q2BK1DS7 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50439157
(CHEMBL2418752)Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4cccc(F)c4)c3)c2c1 Show InChI InChI=1S/C21H17FN6/c1-27-12-16(8-25-27)15-6-19-20(10-24-21(19)23-7-15)17-9-26-28(13-17)11-14-3-2-4-18(22)5-14/h2-10,12-13H,11H2,1H3,(H,23,24) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 139 | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Ltd
Curated by ChEMBL
| Assay Description
Inhibition of ALK in human KARPAS299 cells assessed as phosphorylated Stat3 level after 6 hrs by Western blotting analysis |
Bioorg Med Chem Lett 23: 4911-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.071
BindingDB Entry DOI: 10.7270/Q2BK1DS7 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50439157
(CHEMBL2418752)Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4cccc(F)c4)c3)c2c1 Show InChI InChI=1S/C21H17FN6/c1-27-12-16(8-25-27)15-6-19-20(10-24-21(19)23-7-15)17-9-26-28(13-17)11-14-3-2-4-18(22)5-14/h2-10,12-13H,11H2,1H3,(H,23,24) | PDB
KEGG
UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Ltd
Curated by ChEMBL
| Assay Description
Inhibition of ALK in human KARPAS299 cells assessed as phosphorylated ALK level after 6 hrs by Western blotting analysis |
Bioorg Med Chem Lett 23: 4911-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.071
BindingDB Entry DOI: 10.7270/Q2BK1DS7 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50439167
(CHEMBL2418756)Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4cccc(c4)C(F)(F)F)c3)c2c1 Show InChI InChI=1S/C22H17F3N6/c1-30-12-16(8-28-30)15-6-19-20(10-27-21(19)26-7-15)17-9-29-31(13-17)11-14-3-2-4-18(5-14)22(23,24)25/h2-10,12-13H,11H2,1H3,(H,26,27) | PDB
KEGG
UniProtKB/SwissProt
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| CHEMBL
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PC sid
UniChem
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PubMed
| n/a | n/a | 247 | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Ltd
Curated by ChEMBL
| Assay Description
Inhibition of wild type human recombinant ALK after 30 mins by TR-FRET assay |
Bioorg Med Chem Lett 23: 4911-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.071
BindingDB Entry DOI: 10.7270/Q2BK1DS7 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50439154
(CHEMBL2418761)Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4cc(F)ccc4F)c3)c2c1 Show InChI InChI=1S/C21H16F2N6/c1-28-10-15(7-26-28)13-5-18-19(9-25-21(18)24-6-13)16-8-27-29(12-16)11-14-4-17(22)2-3-20(14)23/h2-10,12H,11H2,1H3,(H,24,25) | PDB
KEGG
UniProtKB/SwissProt
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antibodypedia
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| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Ltd
Curated by ChEMBL
| Assay Description
Inhibition of ALK in human KARPAS299 cells assessed as phosphorylated ALK level after 6 hrs by Western blotting analysis |
Bioorg Med Chem Lett 23: 4911-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.071
BindingDB Entry DOI: 10.7270/Q2BK1DS7 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50439153
(CHEMBL2418762)Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4ccc(F)c(F)c4)c3)c2c1 Show InChI InChI=1S/C21H16F2N6/c1-28-11-15(7-26-28)14-5-17-18(9-25-21(17)24-6-14)16-8-27-29(12-16)10-13-2-3-19(22)20(23)4-13/h2-9,11-12H,10H2,1H3,(H,24,25) | PDB
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 986 | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Ltd
Curated by ChEMBL
| Assay Description
Inhibition of ALK in human KARPAS299 cells assessed as phosphorylated Stat3 level after 6 hrs by Western blotting analysis |
Bioorg Med Chem Lett 23: 4911-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.071
BindingDB Entry DOI: 10.7270/Q2BK1DS7 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50439155
(CHEMBL2418754)Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4cccc(Cl)c4)c3)c2c1 Show InChI InChI=1S/C21H17ClN6/c1-27-12-16(8-25-27)15-6-19-20(10-24-21(19)23-7-15)17-9-26-28(13-17)11-14-3-2-4-18(22)5-14/h2-10,12-13H,11H2,1H3,(H,23,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 986 | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Ltd
Curated by ChEMBL
| Assay Description
Inhibition of ALK in human KARPAS299 cells assessed as phosphorylated Stat3 level after 6 hrs by Western blotting analysis |
Bioorg Med Chem Lett 23: 4911-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.071
BindingDB Entry DOI: 10.7270/Q2BK1DS7 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50439154
(CHEMBL2418761)Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4cc(F)ccc4F)c3)c2c1 Show InChI InChI=1S/C21H16F2N6/c1-28-10-15(7-26-28)13-5-18-19(9-25-21(18)24-6-13)16-8-27-29(12-16)11-14-4-17(22)2-3-20(14)23/h2-10,12H,11H2,1H3,(H,24,25) | PDB
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| CHEMBL
MMDB
PC cid
PC sid
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Similars
| PDB
Article
PubMed
| n/a | n/a | 1.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Ltd
Curated by ChEMBL
| Assay Description
Inhibition of ALK in human KARPAS299 cells assessed as phosphorylated Stat3 level after 6 hrs by Western blotting analysis |
Bioorg Med Chem Lett 23: 4911-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.071
BindingDB Entry DOI: 10.7270/Q2BK1DS7 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50439156
(CHEMBL2418753)Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4ccc(F)cc4)c3)c2c1 Show InChI InChI=1S/C21H17FN6/c1-27-12-16(8-25-27)15-6-19-20(10-24-21(19)23-7-15)17-9-26-28(13-17)11-14-2-4-18(22)5-3-14/h2-10,12-13H,11H2,1H3,(H,23,24) | PDB
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Ltd
Curated by ChEMBL
| Assay Description
Inhibition of ALK in human KARPAS299 cells assessed as phosphorylated Stat3 level after 6 hrs by Western blotting analysis |
Bioorg Med Chem Lett 23: 4911-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.071
BindingDB Entry DOI: 10.7270/Q2BK1DS7 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50439155
(CHEMBL2418754)Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4cccc(Cl)c4)c3)c2c1 Show InChI InChI=1S/C21H17ClN6/c1-27-12-16(8-25-27)15-6-19-20(10-24-21(19)23-7-15)17-9-26-28(13-17)11-14-3-2-4-18(22)5-14/h2-10,12-13H,11H2,1H3,(H,23,24) | PDB
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Ltd
Curated by ChEMBL
| Assay Description
Inhibition of ALK in human KARPAS299 cells assessed as phosphorylated ALK level after 6 hrs by Western blotting analysis |
Bioorg Med Chem Lett 23: 4911-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.071
BindingDB Entry DOI: 10.7270/Q2BK1DS7 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50439153
(CHEMBL2418762)Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4ccc(F)c(F)c4)c3)c2c1 Show InChI InChI=1S/C21H16F2N6/c1-28-11-15(7-26-28)14-5-17-18(9-25-21(17)24-6-14)16-8-27-29(12-16)10-13-2-3-19(22)20(23)4-13/h2-9,11-12H,10H2,1H3,(H,24,25) | PDB
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Ltd
Curated by ChEMBL
| Assay Description
Inhibition of ALK in human KARPAS299 cells assessed as phosphorylated ALK level after 6 hrs by Western blotting analysis |
Bioorg Med Chem Lett 23: 4911-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.071
BindingDB Entry DOI: 10.7270/Q2BK1DS7 |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50439156
(CHEMBL2418753)Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4ccc(F)cc4)c3)c2c1 Show InChI InChI=1S/C21H17FN6/c1-27-12-16(8-25-27)15-6-19-20(10-24-21(19)23-7-15)17-9-26-28(13-17)11-14-2-4-18(22)5-3-14/h2-10,12-13H,11H2,1H3,(H,23,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.91E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Aurigene Discovery Technologies Ltd
Curated by ChEMBL
| Assay Description
Inhibition of ALK in human KARPAS299 cells assessed as phosphorylated ALK level after 6 hrs by Western blotting analysis |
Bioorg Med Chem Lett 23: 4911-8 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.071
BindingDB Entry DOI: 10.7270/Q2BK1DS7 |
More data for this
Ligand-Target Pair | |
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