Found 52 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)) | BDBM50113508
(CHEMBL3604649)Show SMILES CC(C)N1CCC(CC1)c1cc(OC2CC2)c(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)cc1C Show InChI InChI=1S/C29H40ClN7O3S/c1-17(2)37-11-9-20(10-12-37)22-14-26(40-21-7-8-21)24(13-19(22)5)33-29-31-15-23(30)27(34-29)32-25-16-36(6)35-28(25)41(38,39)18(3)4/h13-18,20-21H,7-12H2,1-6H3,(H2,31,32,33,34) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of wild type human recombinant ALK using TK substrate-biotin incubated for 30 mins by HTRF assay |
Bioorg Med Chem Lett 25: 3738-43 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.021
BindingDB Entry DOI: 10.7270/Q208674B |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50113514
(CHEMBL3604652)Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(CCN(C)C)cc2OC2CC2)ncc1Cl Show InChI InChI=1S/C25H34ClN7O3S/c1-15(2)37(34,35)24-21(14-33(6)31-24)28-23-19(26)13-27-25(30-23)29-20-11-16(3)17(9-10-32(4)5)12-22(20)36-18-7-8-18/h11-15,18H,7-10H2,1-6H3,(H2,27,28,29,30) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of wild type human recombinant ALK using TK substrate-biotin incubated for 30 mins by HTRF assay |
Bioorg Med Chem Lett 25: 3738-43 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.021
BindingDB Entry DOI: 10.7270/Q208674B |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50113626
(CHEMBL3604634)Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC2CC2)C2CCN(C)CC2)ncc1Cl Show InChI InChI=1S/C27H36ClN7O3S/c1-16(2)39(36,37)26-23(15-35(5)33-26)30-25-21(28)14-29-27(32-25)31-22-12-17(3)20(13-24(22)38-19-6-7-19)18-8-10-34(4)11-9-18/h12-16,18-19H,6-11H2,1-5H3,(H2,29,30,31,32) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of wild type human recombinant ALK using TK substrate-biotin incubated for 30 mins by HTRF assay |
Bioorg Med Chem Lett 25: 3738-43 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.021
BindingDB Entry DOI: 10.7270/Q208674B |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50113518
(CHEMBL3604646)Show SMILES CC(C)Oc1cc(C2CN(C)C2)c(C)cc1Nc1ncc(Cl)c(Nc2cn(C)nc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C25H34ClN7O3S/c1-14(2)36-22-9-18(17-11-32(6)12-17)16(5)8-20(22)29-25-27-10-19(26)23(30-25)28-21-13-33(7)31-24(21)37(34,35)15(3)4/h8-10,13-15,17H,11-12H2,1-7H3,(H2,27,28,29,30) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of wild type human recombinant ALK using TK substrate-biotin incubated for 30 mins by HTRF assay |
Bioorg Med Chem Lett 25: 3738-43 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.021
BindingDB Entry DOI: 10.7270/Q208674B |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50113627
(CHEMBL3604633)Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC2CC2)C2CCNCC2)ncc1Cl Show InChI InChI=1S/C26H34ClN7O3S/c1-15(2)38(35,36)25-22(14-34(4)33-25)30-24-20(27)13-29-26(32-24)31-21-11-16(3)19(17-7-9-28-10-8-17)12-23(21)37-18-5-6-18/h11-15,17-18,28H,5-10H2,1-4H3,(H2,29,30,31,32) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of wild type human recombinant ALK using TK substrate-biotin incubated for 30 mins by HTRF assay |
Bioorg Med Chem Lett 25: 3738-43 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.021
BindingDB Entry DOI: 10.7270/Q208674B |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50113523
(CHEMBL3604641)Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2ccc(cc2OC2CC2)C2CCN(C)CC2)ncc1Cl Show InChI InChI=1S/C26H34ClN7O3S/c1-16(2)38(35,36)25-22(15-34(4)32-25)29-24-20(27)14-28-26(31-24)30-21-8-5-18(13-23(21)37-19-6-7-19)17-9-11-33(3)12-10-17/h5,8,13-17,19H,6-7,9-12H2,1-4H3,(H2,28,29,30,31) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of wild type human recombinant ALK using TK substrate-biotin incubated for 30 mins by HTRF assay |
Bioorg Med Chem Lett 25: 3738-43 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.021
BindingDB Entry DOI: 10.7270/Q208674B |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50113510
(CHEMBL3604656)Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC2CC2)C2CCCN(C)C2)ncc1Cl Show InChI InChI=1S/C27H36ClN7O3S/c1-16(2)39(36,37)26-23(15-35(5)33-26)30-25-21(28)13-29-27(32-25)31-22-11-17(3)20(12-24(22)38-19-8-9-19)18-7-6-10-34(4)14-18/h11-13,15-16,18-19H,6-10,14H2,1-5H3,(H2,29,30,31,32) | 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 |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of wild type human recombinant ALK using TK substrate-biotin incubated for 30 mins by HTRF assay |
Bioorg Med Chem Lett 25: 3738-43 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.021
BindingDB Entry DOI: 10.7270/Q208674B |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50113522
(CHEMBL3604642)Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(F)c(cc2OC2CC2)C2CCN(C)CC2)ncc1Cl Show InChI InChI=1S/C26H33ClFN7O3S/c1-15(2)39(36,37)25-22(14-35(4)33-25)30-24-19(27)13-29-26(32-24)31-21-12-20(28)18(11-23(21)38-17-5-6-17)16-7-9-34(3)10-8-16/h11-17H,5-10H2,1-4H3,(H2,29,30,31,32) | 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 |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of wild type human recombinant ALK using TK substrate-biotin incubated for 30 mins by HTRF assay |
Bioorg Med Chem Lett 25: 3738-43 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.021
BindingDB Entry DOI: 10.7270/Q208674B |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50113511
(CHEMBL3604655)Show SMILES CCNC(=O)c1cc(OC2CC2)c(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)cc1C Show InChI InChI=1S/C24H30ClN7O4S/c1-6-26-22(33)16-10-20(36-15-7-8-15)18(9-14(16)4)29-24-27-11-17(25)21(30-24)28-19-12-32(5)31-23(19)37(34,35)13(2)3/h9-13,15H,6-8H2,1-5H3,(H,26,33)(H2,27,28,29,30) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of wild type human recombinant ALK using TK substrate-biotin incubated for 30 mins by HTRF assay |
Bioorg Med Chem Lett 25: 3738-43 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.021
BindingDB Entry DOI: 10.7270/Q208674B |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50113626
(CHEMBL3604634)Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC2CC2)C2CCN(C)CC2)ncc1Cl Show InChI InChI=1S/C27H36ClN7O3S/c1-16(2)39(36,37)26-23(15-35(5)33-26)30-25-21(28)14-29-27(32-25)31-22-12-17(3)20(13-24(22)38-19-6-7-19)18-8-10-34(4)11-9-18/h12-16,18-19H,6-11H2,1-5H3,(H2,29,30,31,32) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of ALK L1196M mutant (unknown origin) using TK substrate-biotin incubated for 30 mins by HTRF assay |
Bioorg Med Chem Lett 25: 3738-43 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.021
BindingDB Entry DOI: 10.7270/Q208674B |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50113507
(CHEMBL3604648)Show SMILES CC(C)Oc1cc(C2CCN(C)C2)c(C)cc1Nc1ncc(Cl)c(Nc2cn(C)nc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C26H36ClN7O3S/c1-15(2)37-23-11-19(18-8-9-33(6)13-18)17(5)10-21(23)30-26-28-12-20(27)24(31-26)29-22-14-34(7)32-25(22)38(35,36)16(3)4/h10-12,14-16,18H,8-9,13H2,1-7H3,(H2,28,29,30,31) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of ALK L1196M mutant (unknown origin) using TK substrate-biotin incubated for 30 mins by HTRF assay |
Bioorg Med Chem Lett 25: 3738-43 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.021
BindingDB Entry DOI: 10.7270/Q208674B |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50113629
(CHEMBL3604632)Show SMILES CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2cn(C)nc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C27H38ClN7O3S/c1-16(2)38-24-13-20(19-8-10-34(6)11-9-19)18(5)12-22(24)31-27-29-14-21(28)25(32-27)30-23-15-35(7)33-26(23)39(36,37)17(3)4/h12-17,19H,8-11H2,1-7H3,(H2,29,30,31,32) | PDB
KEGG
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antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
PDB
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Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of wild type human recombinant ALK using TK substrate-biotin incubated for 30 mins by HTRF assay |
Bioorg Med Chem Lett 25: 3738-43 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.021
BindingDB Entry DOI: 10.7270/Q208674B |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50113519
(CHEMBL3604645)Show SMILES CC(C)Oc1cc(C2CNC2)c(C)cc1Nc1ncc(Cl)c(Nc2cn(C)nc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C24H32ClN7O3S/c1-13(2)35-21-8-17(16-9-26-10-16)15(5)7-19(21)29-24-27-11-18(25)22(30-24)28-20-12-32(6)31-23(20)36(33,34)14(3)4/h7-8,11-14,16,26H,9-10H2,1-6H3,(H2,27,28,29,30) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of wild type human recombinant ALK using TK substrate-biotin incubated for 30 mins by HTRF assay |
Bioorg Med Chem Lett 25: 3738-43 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.021
BindingDB Entry DOI: 10.7270/Q208674B |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50113627
(CHEMBL3604633)Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC2CC2)C2CCNCC2)ncc1Cl Show InChI InChI=1S/C26H34ClN7O3S/c1-15(2)38(35,36)25-22(14-34(4)33-25)30-24-20(27)13-29-26(32-24)31-21-11-16(3)19(17-7-9-28-10-8-17)12-23(21)37-18-5-6-18/h11-15,17-18,28H,5-10H2,1-4H3,(H2,29,30,31,32) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of ALK L1196M mutant (unknown origin) using TK substrate-biotin incubated for 30 mins by HTRF assay |
Bioorg Med Chem Lett 25: 3738-43 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.021
BindingDB Entry DOI: 10.7270/Q208674B |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50113521
(CHEMBL3604643)Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(Cl)c(cc2OC2CC2)C2CCN(C)CC2)ncc1Cl Show InChI InChI=1S/C26H33Cl2N7O3S/c1-15(2)39(36,37)25-22(14-35(4)33-25)30-24-20(28)13-29-26(32-24)31-21-12-19(27)18(11-23(21)38-17-5-6-17)16-7-9-34(3)10-8-16/h11-17H,5-10H2,1-4H3,(H2,29,30,31,32) | 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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of wild type human recombinant ALK using TK substrate-biotin incubated for 30 mins by HTRF assay |
Bioorg Med Chem Lett 25: 3738-43 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.021
BindingDB Entry DOI: 10.7270/Q208674B |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50113516
(CHEMBL3604650)Show SMILES COCCc1cc(OC2CC2)c(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)cc1C Show InChI InChI=1S/C24H31ClN6O4S/c1-14(2)36(32,33)23-20(13-31(4)30-23)27-22-18(25)12-26-24(29-22)28-19-10-15(3)16(8-9-34-5)11-21(19)35-17-6-7-17/h10-14,17H,6-9H2,1-5H3,(H2,26,27,28,29) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of wild type human recombinant ALK using TK substrate-biotin incubated for 30 mins by HTRF assay |
Bioorg Med Chem Lett 25: 3738-43 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.021
BindingDB Entry DOI: 10.7270/Q208674B |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50113517
(CHEMBL3604647)Show SMILES CC(C)Oc1cc(C2CCNC2)c(C)cc1Nc1ncc(Cl)c(Nc2cn(C)nc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C25H34ClN7O3S/c1-14(2)36-22-10-18(17-7-8-27-11-17)16(5)9-20(22)30-25-28-12-19(26)23(31-25)29-21-13-33(6)32-24(21)37(34,35)15(3)4/h9-10,12-15,17,27H,7-8,11H2,1-6H3,(H2,28,29,30,31) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of wild type human recombinant ALK using TK substrate-biotin incubated for 30 mins by HTRF assay |
Bioorg Med Chem Lett 25: 3738-43 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.021
BindingDB Entry DOI: 10.7270/Q208674B |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50113522
(CHEMBL3604642)Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(F)c(cc2OC2CC2)C2CCN(C)CC2)ncc1Cl Show InChI InChI=1S/C26H33ClFN7O3S/c1-15(2)39(36,37)25-22(14-35(4)33-25)30-24-19(27)13-29-26(32-24)31-21-12-20(28)18(11-23(21)38-17-5-6-17)16-7-9-34(3)10-8-16/h11-17H,5-10H2,1-4H3,(H2,29,30,31,32) | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of ALK L1196M mutant (unknown origin) using TK substrate-biotin incubated for 30 mins by HTRF assay |
Bioorg Med Chem Lett 25: 3738-43 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.021
BindingDB Entry DOI: 10.7270/Q208674B |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50113508
(CHEMBL3604649)Show SMILES CC(C)N1CCC(CC1)c1cc(OC2CC2)c(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)cc1C Show InChI InChI=1S/C29H40ClN7O3S/c1-17(2)37-11-9-20(10-12-37)22-14-26(40-21-7-8-21)24(13-19(22)5)33-29-31-15-23(30)27(34-29)32-25-16-36(6)35-28(25)41(38,39)18(3)4/h13-18,20-21H,7-12H2,1-6H3,(H2,31,32,33,34) | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of ALK L1196M mutant (unknown origin) using TK substrate-biotin incubated for 30 mins by HTRF assay |
Bioorg Med Chem Lett 25: 3738-43 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.021
BindingDB Entry DOI: 10.7270/Q208674B |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50113518
(CHEMBL3604646)Show SMILES CC(C)Oc1cc(C2CN(C)C2)c(C)cc1Nc1ncc(Cl)c(Nc2cn(C)nc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C25H34ClN7O3S/c1-14(2)36-22-9-18(17-11-32(6)12-17)16(5)8-20(22)29-25-27-10-19(26)23(30-25)28-21-13-33(7)31-24(21)37(34,35)15(3)4/h8-10,13-15,17H,11-12H2,1-7H3,(H2,27,28,29,30) | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of ALK L1196M mutant (unknown origin) using TK substrate-biotin incubated for 30 mins by HTRF assay |
Bioorg Med Chem Lett 25: 3738-43 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.021
BindingDB Entry DOI: 10.7270/Q208674B |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50113514
(CHEMBL3604652)Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(CCN(C)C)cc2OC2CC2)ncc1Cl Show InChI InChI=1S/C25H34ClN7O3S/c1-15(2)37(34,35)24-21(14-33(6)31-24)28-23-19(26)13-27-25(30-23)29-20-11-16(3)17(9-10-32(4)5)12-22(20)36-18-7-8-18/h11-15,18H,7-10H2,1-6H3,(H2,27,28,29,30) | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of ALK L1196M mutant (unknown origin) using TK substrate-biotin incubated for 30 mins by HTRF assay |
Bioorg Med Chem Lett 25: 3738-43 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.021
BindingDB Entry DOI: 10.7270/Q208674B |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50113523
(CHEMBL3604641)Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2ccc(cc2OC2CC2)C2CCN(C)CC2)ncc1Cl Show InChI InChI=1S/C26H34ClN7O3S/c1-16(2)38(35,36)25-22(15-34(4)32-25)29-24-20(27)14-28-26(31-24)30-21-8-5-18(13-23(21)37-19-6-7-19)17-9-11-33(3)12-10-17/h5,8,13-17,19H,6-7,9-12H2,1-4H3,(H2,28,29,30,31) | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of ALK L1196M mutant (unknown origin) using TK substrate-biotin incubated for 30 mins by HTRF assay |
Bioorg Med Chem Lett 25: 3738-43 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.021
BindingDB Entry DOI: 10.7270/Q208674B |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50113517
(CHEMBL3604647)Show SMILES CC(C)Oc1cc(C2CCNC2)c(C)cc1Nc1ncc(Cl)c(Nc2cn(C)nc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C25H34ClN7O3S/c1-14(2)36-22-10-18(17-7-8-27-11-17)16(5)9-20(22)30-25-28-12-19(26)23(31-25)29-21-13-33(6)32-24(21)37(34,35)15(3)4/h9-10,12-15,17,27H,7-8,11H2,1-6H3,(H2,28,29,30,31) | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of ALK L1196M mutant (unknown origin) using TK substrate-biotin incubated for 30 mins by HTRF assay |
Bioorg Med Chem Lett 25: 3738-43 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.021
BindingDB Entry DOI: 10.7270/Q208674B |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50113622
(CHEMBL3604638)Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC(F)(F)F)C2CCN(C)CC2)ncc1Cl Show InChI InChI=1S/C25H31ClF3N7O3S/c1-14(2)40(37,38)23-20(13-36(5)34-23)31-22-18(26)12-30-24(33-22)32-19-10-15(3)17(11-21(19)39-25(27,28)29)16-6-8-35(4)9-7-16/h10-14,16H,6-9H2,1-5H3,(H2,30,31,32,33) | PDB
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of wild type human recombinant ALK using TK substrate-biotin incubated for 30 mins by HTRF assay |
Bioorg Med Chem Lett 25: 3738-43 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.021
BindingDB Entry DOI: 10.7270/Q208674B |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50113511
(CHEMBL3604655)Show SMILES CCNC(=O)c1cc(OC2CC2)c(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)cc1C Show InChI InChI=1S/C24H30ClN7O4S/c1-6-26-22(33)16-10-20(36-15-7-8-15)18(9-14(16)4)29-24-27-11-17(25)21(30-24)28-19-12-32(5)31-23(19)37(34,35)13(2)3/h9-13,15H,6-8H2,1-5H3,(H,26,33)(H2,27,28,29,30) | PDB
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of ALK L1196M mutant (unknown origin) using TK substrate-biotin incubated for 30 mins by HTRF assay |
Bioorg Med Chem Lett 25: 3738-43 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.021
BindingDB Entry DOI: 10.7270/Q208674B |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50113510
(CHEMBL3604656)Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC2CC2)C2CCCN(C)C2)ncc1Cl Show InChI InChI=1S/C27H36ClN7O3S/c1-16(2)39(36,37)26-23(15-35(5)33-26)30-25-21(28)13-29-27(32-25)31-22-11-17(3)20(12-24(22)38-19-8-9-19)18-7-6-10-34(4)14-18/h11-13,15-16,18-19H,6-10,14H2,1-5H3,(H2,29,30,31,32) | PDB
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| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of ALK L1196M mutant (unknown origin) using TK substrate-biotin incubated for 30 mins by HTRF assay |
Bioorg Med Chem Lett 25: 3738-43 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.021
BindingDB Entry DOI: 10.7270/Q208674B |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50113507
(CHEMBL3604648)Show SMILES CC(C)Oc1cc(C2CCN(C)C2)c(C)cc1Nc1ncc(Cl)c(Nc2cn(C)nc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C26H36ClN7O3S/c1-15(2)37-23-11-19(18-8-9-33(6)13-18)17(5)10-21(23)30-26-28-12-20(27)24(31-26)29-22-14-34(7)32-25(22)38(35,36)16(3)4/h10-12,14-16,18H,8-9,13H2,1-7H3,(H2,28,29,30,31) | PDB
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| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of wild type human recombinant ALK using TK substrate-biotin incubated for 30 mins by HTRF assay |
Bioorg Med Chem Lett 25: 3738-43 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.021
BindingDB Entry DOI: 10.7270/Q208674B |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50113516
(CHEMBL3604650)Show SMILES COCCc1cc(OC2CC2)c(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)cc1C Show InChI InChI=1S/C24H31ClN6O4S/c1-14(2)36(32,33)23-20(13-31(4)30-23)27-22-18(25)12-26-24(29-22)28-19-10-15(3)16(8-9-34-5)11-21(19)35-17-6-7-17/h10-14,17H,6-9H2,1-5H3,(H2,26,27,28,29) | PDB
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| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of ALK L1196M mutant (unknown origin) using TK substrate-biotin incubated for 30 mins by HTRF assay |
Bioorg Med Chem Lett 25: 3738-43 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.021
BindingDB Entry DOI: 10.7270/Q208674B |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50113520
(CHEMBL3604644)Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C#N)c(cc2OC2CC2)C2CCN(C)CC2)ncc1Cl Show InChI InChI=1S/C27H33ClN8O3S/c1-16(2)40(37,38)26-23(15-36(4)34-26)31-25-21(28)14-30-27(33-25)32-22-11-18(13-29)20(12-24(22)39-19-5-6-19)17-7-9-35(3)10-8-17/h11-12,14-17,19H,5-10H2,1-4H3,(H2,30,31,32,33) | PDB
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| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of wild type human recombinant ALK using TK substrate-biotin incubated for 30 mins by HTRF assay |
Bioorg Med Chem Lett 25: 3738-43 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.021
BindingDB Entry DOI: 10.7270/Q208674B |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50113629
(CHEMBL3604632)Show SMILES CC(C)Oc1cc(C2CCN(C)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2cn(C)nc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C27H38ClN7O3S/c1-16(2)38-24-13-20(19-8-10-34(6)11-9-19)18(5)12-22(24)31-27-29-14-21(28)25(32-27)30-23-15-35(7)33-26(23)39(36,37)17(3)4/h12-17,19H,8-11H2,1-7H3,(H2,29,30,31,32) | PDB
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Article
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| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of ALK L1196M mutant (unknown origin) using TK substrate-biotin incubated for 30 mins by HTRF assay |
Bioorg Med Chem Lett 25: 3738-43 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.021
BindingDB Entry DOI: 10.7270/Q208674B |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50113509
(CHEMBL3604631)Show SMILES CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2cn(C)nc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C26H36ClN7O3S/c1-15(2)37-23-12-19(18-7-9-28-10-8-18)17(5)11-21(23)31-26-29-13-20(27)24(32-26)30-22-14-34(6)33-25(22)38(35,36)16(3)4/h11-16,18,28H,7-10H2,1-6H3,(H2,29,30,31,32) | PDB
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| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of wild type human recombinant ALK using TK substrate-biotin incubated for 30 mins by HTRF assay |
Bioorg Med Chem Lett 25: 3738-43 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.021
BindingDB Entry DOI: 10.7270/Q208674B |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50113512
(CHEMBL3604654)Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC2CC2)S(C)(=O)=O)ncc1Cl Show InChI InChI=1S/C22H27ClN6O5S2/c1-12(2)36(32,33)21-17(11-29(4)28-21)25-20-15(23)10-24-22(27-20)26-16-8-13(3)19(35(5,30)31)9-18(16)34-14-6-7-14/h8-12,14H,6-7H2,1-5H3,(H2,24,25,26,27) | PDB
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of wild type human recombinant ALK using TK substrate-biotin incubated for 30 mins by HTRF assay |
Bioorg Med Chem Lett 25: 3738-43 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.021
BindingDB Entry DOI: 10.7270/Q208674B |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50113521
(CHEMBL3604643)Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(Cl)c(cc2OC2CC2)C2CCN(C)CC2)ncc1Cl Show InChI InChI=1S/C26H33Cl2N7O3S/c1-15(2)39(36,37)25-22(14-35(4)33-25)30-24-20(28)13-29-26(32-24)31-21-12-19(27)18(11-23(21)38-17-5-6-17)16-7-9-34(3)10-8-16/h11-17H,5-10H2,1-4H3,(H2,29,30,31,32) | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of ALK L1196M mutant (unknown origin) using TK substrate-biotin incubated for 30 mins by HTRF assay |
Bioorg Med Chem Lett 25: 3738-43 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.021
BindingDB Entry DOI: 10.7270/Q208674B |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50113622
(CHEMBL3604638)Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC(F)(F)F)C2CCN(C)CC2)ncc1Cl Show InChI InChI=1S/C25H31ClF3N7O3S/c1-14(2)40(37,38)23-20(13-36(5)34-23)31-22-18(26)12-30-24(33-22)32-19-10-15(3)17(11-21(19)39-25(27,28)29)16-6-8-35(4)9-7-16/h10-14,16H,6-9H2,1-5H3,(H2,30,31,32,33) | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of ALK L1196M mutant (unknown origin) using TK substrate-biotin incubated for 30 mins by HTRF assay |
Bioorg Med Chem Lett 25: 3738-43 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.021
BindingDB Entry DOI: 10.7270/Q208674B |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50113515
(CHEMBL3604651)Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC2CC2)C2COC2)ncc1Cl Show InChI InChI=1S/C24H29ClN6O4S/c1-13(2)36(32,33)23-20(10-31(4)30-23)27-22-18(25)9-26-24(29-22)28-19-7-14(3)17(15-11-34-12-15)8-21(19)35-16-5-6-16/h7-10,13,15-16H,5-6,11-12H2,1-4H3,(H2,26,27,28,29) | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of ALK L1196M mutant (unknown origin) using TK substrate-biotin incubated for 30 mins by HTRF assay |
Bioorg Med Chem Lett 25: 3738-43 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.021
BindingDB Entry DOI: 10.7270/Q208674B |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50113515
(CHEMBL3604651)Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC2CC2)C2COC2)ncc1Cl Show InChI InChI=1S/C24H29ClN6O4S/c1-13(2)36(32,33)23-20(10-31(4)30-23)27-22-18(25)9-26-24(29-22)28-19-7-14(3)17(15-11-34-12-15)8-21(19)35-16-5-6-16/h7-10,13,15-16H,5-6,11-12H2,1-4H3,(H2,26,27,28,29) | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of wild type human recombinant ALK using TK substrate-biotin incubated for 30 mins by HTRF assay |
Bioorg Med Chem Lett 25: 3738-43 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.021
BindingDB Entry DOI: 10.7270/Q208674B |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50113623
(CHEMBL3604637)Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC(CF)CF)C2CCN(C)CC2)ncc1Cl Show InChI InChI=1S/C27H36ClF2N7O3S/c1-16(2)41(38,39)26-23(15-37(5)35-26)32-25-21(28)14-31-27(34-25)33-22-10-17(3)20(18-6-8-36(4)9-7-18)11-24(22)40-19(12-29)13-30/h10-11,14-16,18-19H,6-9,12-13H2,1-5H3,(H2,31,32,33,34) | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of wild type human recombinant ALK using TK substrate-biotin incubated for 30 mins by HTRF assay |
Bioorg Med Chem Lett 25: 3738-43 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.021
BindingDB Entry DOI: 10.7270/Q208674B |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50113625
(CHEMBL3604635)Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OCC2CC2)C2CCNCC2)ncc1Cl Show InChI InChI=1S/C27H36ClN7O3S/c1-16(2)39(36,37)26-23(14-35(4)34-26)31-25-21(28)13-30-27(33-25)32-22-11-17(3)20(19-7-9-29-10-8-19)12-24(22)38-15-18-5-6-18/h11-14,16,18-19,29H,5-10,15H2,1-4H3,(H2,30,31,32,33) | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of wild type human recombinant ALK using TK substrate-biotin incubated for 30 mins by HTRF assay |
Bioorg Med Chem Lett 25: 3738-43 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.021
BindingDB Entry DOI: 10.7270/Q208674B |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50113512
(CHEMBL3604654)Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC2CC2)S(C)(=O)=O)ncc1Cl Show InChI InChI=1S/C22H27ClN6O5S2/c1-12(2)36(32,33)21-17(11-29(4)28-21)25-20-15(23)10-24-22(27-20)26-16-8-13(3)19(35(5,30)31)9-18(16)34-14-6-7-14/h8-12,14H,6-7H2,1-5H3,(H2,24,25,26,27) | PDB
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of ALK L1196M mutant (unknown origin) using TK substrate-biotin incubated for 30 mins by HTRF assay |
Bioorg Med Chem Lett 25: 3738-43 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.021
BindingDB Entry DOI: 10.7270/Q208674B |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50113524
(CHEMBL3604640)Show SMILES CC(C)c1cc(C2CCN(C)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2cn(C)nc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C27H38ClN7O2S/c1-16(2)20-13-21(19-8-10-34(6)11-9-19)18(5)12-23(20)31-27-29-14-22(28)25(32-27)30-24-15-35(7)33-26(24)38(36,37)17(3)4/h12-17,19H,8-11H2,1-7H3,(H2,29,30,31,32) | PDB
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of wild type human recombinant ALK using TK substrate-biotin incubated for 30 mins by HTRF assay |
Bioorg Med Chem Lett 25: 3738-43 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.021
BindingDB Entry DOI: 10.7270/Q208674B |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50113519
(CHEMBL3604645)Show SMILES CC(C)Oc1cc(C2CNC2)c(C)cc1Nc1ncc(Cl)c(Nc2cn(C)nc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C24H32ClN7O3S/c1-13(2)35-21-8-17(16-9-26-10-16)15(5)7-19(21)29-24-27-11-18(25)22(30-24)28-20-12-32(6)31-23(20)36(33,34)14(3)4/h7-8,11-14,16,26H,9-10H2,1-6H3,(H2,27,28,29,30) | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of ALK L1196M mutant (unknown origin) using TK substrate-biotin incubated for 30 mins by HTRF assay |
Bioorg Med Chem Lett 25: 3738-43 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.021
BindingDB Entry DOI: 10.7270/Q208674B |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50113520
(CHEMBL3604644)Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C#N)c(cc2OC2CC2)C2CCN(C)CC2)ncc1Cl Show InChI InChI=1S/C27H33ClN8O3S/c1-16(2)40(37,38)26-23(15-36(4)34-26)31-25-21(28)14-30-27(33-25)32-22-11-18(13-29)20(12-24(22)39-19-5-6-19)17-7-9-35(3)10-8-17/h11-12,14-17,19H,5-10H2,1-4H3,(H2,30,31,32,33) | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of ALK L1196M mutant (unknown origin) using TK substrate-biotin incubated for 30 mins by HTRF assay |
Bioorg Med Chem Lett 25: 3738-43 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.021
BindingDB Entry DOI: 10.7270/Q208674B |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50113624
(CHEMBL3604636)Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OCC2CC2)C2CCN(C)CC2)ncc1Cl Show InChI InChI=1S/C28H38ClN7O3S/c1-17(2)40(37,38)27-24(15-36(5)34-27)31-26-22(29)14-30-28(33-26)32-23-12-18(3)21(20-8-10-35(4)11-9-20)13-25(23)39-16-19-6-7-19/h12-15,17,19-20H,6-11,16H2,1-5H3,(H2,30,31,32,33) | PDB
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of wild type human recombinant ALK using TK substrate-biotin incubated for 30 mins by HTRF assay |
Bioorg Med Chem Lett 25: 3738-43 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.021
BindingDB Entry DOI: 10.7270/Q208674B |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50113625
(CHEMBL3604635)Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OCC2CC2)C2CCNCC2)ncc1Cl Show InChI InChI=1S/C27H36ClN7O3S/c1-16(2)39(36,37)26-23(14-35(4)34-26)31-25-21(28)13-30-27(33-25)32-22-11-17(3)20(19-7-9-29-10-8-19)12-24(22)38-15-18-5-6-18/h11-14,16,18-19,29H,5-10,15H2,1-4H3,(H2,30,31,32,33) | PDB
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| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of ALK L1196M mutant (unknown origin) using TK substrate-biotin incubated for 30 mins by HTRF assay |
Bioorg Med Chem Lett 25: 3738-43 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.021
BindingDB Entry DOI: 10.7270/Q208674B |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50113509
(CHEMBL3604631)Show SMILES CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2cn(C)nc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C26H36ClN7O3S/c1-15(2)37-23-12-19(18-7-9-28-10-8-18)17(5)11-21(23)31-26-29-13-20(27)24(32-26)30-22-14-34(6)33-25(22)38(35,36)16(3)4/h11-16,18,28H,7-10H2,1-6H3,(H2,29,30,31,32) | PDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of ALK L1196M mutant (unknown origin) using TK substrate-biotin incubated for 30 mins by HTRF assay |
Bioorg Med Chem Lett 25: 3738-43 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.021
BindingDB Entry DOI: 10.7270/Q208674B |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50113525
(CHEMBL3604639)Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2C(F)(F)F)C2CCN(C)CC2)ncc1Cl Show InChI InChI=1S/C25H31ClF3N7O2S/c1-14(2)39(37,38)23-21(13-36(5)34-23)31-22-19(26)12-30-24(33-22)32-20-10-15(3)17(11-18(20)25(27,28)29)16-6-8-35(4)9-7-16/h10-14,16H,6-9H2,1-5H3,(H2,30,31,32,33) | PDB
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of wild type human recombinant ALK using TK substrate-biotin incubated for 30 mins by HTRF assay |
Bioorg Med Chem Lett 25: 3738-43 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.021
BindingDB Entry DOI: 10.7270/Q208674B |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50113623
(CHEMBL3604637)Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC(CF)CF)C2CCN(C)CC2)ncc1Cl Show InChI InChI=1S/C27H36ClF2N7O3S/c1-16(2)41(38,39)26-23(15-37(5)35-26)32-25-21(28)14-31-27(34-25)33-22-10-17(3)20(18-6-8-36(4)9-7-18)11-24(22)40-19(12-29)13-30/h10-11,14-16,18-19H,6-9,12-13H2,1-5H3,(H2,31,32,33,34) | PDB
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| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of ALK L1196M mutant (unknown origin) using TK substrate-biotin incubated for 30 mins by HTRF assay |
Bioorg Med Chem Lett 25: 3738-43 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.021
BindingDB Entry DOI: 10.7270/Q208674B |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50113513
(CHEMBL3604653)Show SMILES CC(C)C(=O)c1cc(OC2CC2)c(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)cc1C Show InChI InChI=1S/C25H31ClN6O4S/c1-13(2)22(33)17-10-21(36-16-7-8-16)19(9-15(17)5)29-25-27-11-18(26)23(30-25)28-20-12-32(6)31-24(20)37(34,35)14(3)4/h9-14,16H,7-8H2,1-6H3,(H2,27,28,29,30) | PDB
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| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of wild type human recombinant ALK using TK substrate-biotin incubated for 30 mins by HTRF assay |
Bioorg Med Chem Lett 25: 3738-43 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.021
BindingDB Entry DOI: 10.7270/Q208674B |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50113524
(CHEMBL3604640)Show SMILES CC(C)c1cc(C2CCN(C)CC2)c(C)cc1Nc1ncc(Cl)c(Nc2cn(C)nc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C27H38ClN7O2S/c1-16(2)20-13-21(19-8-10-34(6)11-9-19)18(5)12-23(20)31-27-29-14-22(28)25(32-27)30-24-15-35(7)33-26(24)38(36,37)17(3)4/h12-17,19H,8-11H2,1-7H3,(H2,29,30,31,32) | PDB
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PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of ALK L1196M mutant (unknown origin) using TK substrate-biotin incubated for 30 mins by HTRF assay |
Bioorg Med Chem Lett 25: 3738-43 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.021
BindingDB Entry DOI: 10.7270/Q208674B |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50113513
(CHEMBL3604653)Show SMILES CC(C)C(=O)c1cc(OC2CC2)c(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)cc1C Show InChI InChI=1S/C25H31ClN6O4S/c1-13(2)22(33)17-10-21(36-16-7-8-16)19(9-15(17)5)29-25-27-11-18(26)23(30-25)28-20-12-32(6)31-24(20)37(34,35)14(3)4/h9-14,16H,7-8H2,1-6H3,(H2,27,28,29,30) | PDB
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PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of ALK L1196M mutant (unknown origin) using TK substrate-biotin incubated for 30 mins by HTRF assay |
Bioorg Med Chem Lett 25: 3738-43 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.021
BindingDB Entry DOI: 10.7270/Q208674B |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50113624
(CHEMBL3604636)Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OCC2CC2)C2CCN(C)CC2)ncc1Cl Show InChI InChI=1S/C28H38ClN7O3S/c1-17(2)40(37,38)27-24(15-36(5)34-27)31-26-22(29)14-30-28(33-26)32-23-12-18(3)21(20-8-10-35(4)11-9-20)13-25(23)39-16-19-6-7-19/h12-15,17,19-20H,6-11,16H2,1-5H3,(H2,30,31,32,33) | PDB
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| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of ALK L1196M mutant (unknown origin) using TK substrate-biotin incubated for 30 mins by HTRF assay |
Bioorg Med Chem Lett 25: 3738-43 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.021
BindingDB Entry DOI: 10.7270/Q208674B |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50113525
(CHEMBL3604639)Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2C(F)(F)F)C2CCN(C)CC2)ncc1Cl Show InChI InChI=1S/C25H31ClF3N7O2S/c1-14(2)39(37,38)23-21(13-36(5)34-23)31-22-19(26)12-30-24(33-22)32-20-10-15(3)17(11-18(20)25(27,28)29)16-6-8-35(4)9-7-16/h10-14,16H,6-9H2,1-5H3,(H2,30,31,32,33) | PDB
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| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of ALK L1196M mutant (unknown origin) using TK substrate-biotin incubated for 30 mins by HTRF assay |
Bioorg Med Chem Lett 25: 3738-43 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.021
BindingDB Entry DOI: 10.7270/Q208674B |
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Ligand-Target Pair | |
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