Found 60 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)) | 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
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antibodypedia
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AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human wild type ALK using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50159537
(CHEMBL3785722)Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC2CC2)C2CCN(C)CC2)ncc1C Show InChI InChI=1S/C28H39N7O3S/c1-17(2)39(36,37)27-24(16-35(6)33-27)30-26-19(4)15-29-28(32-26)31-23-13-18(3)22(14-25(23)38-21-7-8-21)20-9-11-34(5)12-10-20/h13-17,20-21H,7-12H2,1-6H3,(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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human wild type ALK using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50159541
(CHEMBL3785890)Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC2CC2)C2CCN(C)CC2)ncc1C#N Show InChI InChI=1S/C28H36N8O3S/c1-17(2)40(37,38)27-24(16-36(5)34-27)31-26-20(14-29)15-30-28(33-26)32-23-12-18(3)22(13-25(23)39-21-6-7-21)19-8-10-35(4)11-9-19/h12-13,15-17,19,21H,6-11H2,1-5H3,(H2,30,31,32,33) | PDB
KEGG
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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 recombinant human wild type ALK using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50159539
(CHEMBL3787598)Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC2CC2)C2CCN(C)CC2)ncc1F Show InChI InChI=1S/C27H36FN7O3S/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
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| 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 recombinant human wild type ALK using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50159522
(CHEMBL3785711)Show SMILES CC(C)CS(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC(C)C)C2CCNCC2)ncc1Cl Show InChI InChI=1S/C27H38ClN7O3S/c1-16(2)15-39(36,37)26-23(14-35(6)34-26)31-25-21(28)13-30-27(33-25)32-22-11-18(5)20(12-24(22)38-17(3)4)19-7-9-29-10-8-19/h11-14,16-17,19,29H,7-10,15H2,1-6H3,(H2,30,31,32,33) | PDB
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| CHEMBL
PC cid
PC sid
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| Article
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| 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 recombinant human wild type ALK using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50159531
(CHEMBL3786148)Show SMILES CN1CCC(CC1)c1cc(OC2CC2)c(Nc2ncc(Cl)c(Nc3cn(C)nc3C#N)n2)cc1C Show InChI InChI=1S/C25H29ClN8O/c1-15-10-20(23(35-17-4-5-17)11-18(15)16-6-8-33(2)9-7-16)30-25-28-13-19(26)24(31-25)29-22-14-34(3)32-21(22)12-27/h10-11,13-14,16-17H,4-9H2,1-3H3,(H2,28,29,30,31) | PDB
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| CHEMBL
PC cid
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UniChem
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| 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 recombinant human wild type ALK using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50159536
(CHEMBL3786916)Show SMILES CC(C)S(=O)(=O)c1sc(C)nc1Nc1nc(Nc2cc(C)c(cc2OC2CC2)C2CCN(C)CC2)ncc1Cl Show InChI InChI=1S/C27H35ClN6O3S2/c1-15(2)39(35,36)26-25(30-17(4)38-26)32-24-21(28)14-29-27(33-24)31-22-12-16(3)20(13-23(22)37-19-6-7-19)18-8-10-34(5)11-9-18/h12-15,18-19H,6-11H2,1-5H3,(H2,29,31,32,33) | PDB
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| 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 recombinant human wild type ALK using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50159514
(CHEMBL3785607)Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC2CC2)C2CCS(=O)(=O)CC2)ncc1Cl Show InChI InChI=1S/C26H33ClN6O5S2/c1-15(2)40(36,37)25-22(14-33(4)32-25)29-24-20(27)13-28-26(31-24)30-21-11-16(3)19(12-23(21)38-18-5-6-18)17-7-9-39(34,35)10-8-17/h11-15,17-18H,5-10H2,1-4H3,(H2,28,29,30,31) | PDB
KEGG
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antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| 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 recombinant human wild type ALK using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50159541
(CHEMBL3785890)Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC2CC2)C2CCN(C)CC2)ncc1C#N Show InChI InChI=1S/C28H36N8O3S/c1-17(2)40(37,38)27-24(16-36(5)34-27)31-26-20(14-29)15-30-28(33-26)32-23-12-18(3)22(13-25(23)39-21-6-7-21)19-8-10-35(4)11-9-19/h12-13,15-17,19,21H,6-11H2,1-5H3,(H2,30,31,32,33) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ALK L1196M mutant using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ |
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 recombinant human ALK L1196M mutant using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50159517
(CHEMBL3785928)Show SMILES CC(C)N[C@H]1CC[C@@H](CC1)c1cc(OC2CC2)c(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)cc1C |r,wU:7.10,wD:4.3,(1.33,9.7,;1.33,8.47,;2.4,7.86,;-0,7.7,;-0,6.16,;-1.34,5.39,;-1.33,3.85,;,3.08,;1.33,3.85,;1.33,5.39,;,1.54,;1.33,.77,;1.33,-.77,;2.67,-1.54,;4,-.77,;5.46,-.81,;4.69,.52,;,-1.54,;-0,-3.08,;-1.34,-3.85,;-2.67,-3.07,;-4.01,-3.84,;-4.01,-5.38,;-5.08,-5.99,;-2.68,-6.15,;-2.68,-7.7,;-1.35,-8.47,;.04,-7.83,;1.07,-8.98,;2.29,-8.85,;.3,-10.31,;-1.21,-9.99,;-2.36,-11.01,;-2.11,-12.22,;-3.28,-11.83,;-3.82,-10.52,;-4.74,-11.34,;-4.07,-9.32,;-1.34,-5.39,;-1.33,-.77,;-1.33,.77,;-2.4,1.39,)| Show InChI InChI=1S/C30H42ClN7O3S/c1-17(2)33-21-9-7-20(8-10-21)23-14-27(41-22-11-12-22)25(13-19(23)5)35-30-32-15-24(31)28(36-30)34-26-16-38(6)37-29(26)42(39,40)18(3)4/h13-18,20-22,33H,7-12H2,1-6H3,(H2,32,34,35,36)/t20-,21- | PDB
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PC cid
PC sid
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Similars
| Article
PubMed
| 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 recombinant human wild type ALK using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50159513
(CHEMBL3785825)Show SMILES CC(C)N[C@H]1CC[C@H](CC1)c1cc(OC2CC2)c(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)cc1C |r,wU:7.10,4.3,(1.33,9.7,;1.33,8.47,;2.4,7.86,;-0,7.7,;-0,6.16,;1.33,5.39,;1.33,3.85,;,3.08,;-1.33,3.85,;-1.34,5.39,;,1.54,;1.33,.77,;1.33,-.77,;2.67,-1.54,;4,-.77,;5.46,-.81,;4.69,.52,;,-1.54,;-0,-3.08,;-1.34,-3.85,;-2.67,-3.07,;-4.01,-3.84,;-4.01,-5.38,;-5.08,-5.99,;-2.68,-6.15,;-2.68,-7.7,;-1.35,-8.47,;.04,-7.83,;1.07,-8.98,;2.29,-8.85,;.3,-10.31,;-1.21,-9.99,;-2.36,-11.01,;-2.11,-12.22,;-3.28,-11.83,;-3.82,-10.52,;-4.74,-11.34,;-4.07,-9.32,;-1.34,-5.39,;-1.33,-.77,;-1.33,.77,;-2.4,1.39,)| Show InChI InChI=1S/C30H42ClN7O3S/c1-17(2)33-21-9-7-20(8-10-21)23-14-27(41-22-11-12-22)25(13-19(23)5)35-30-32-15-24(31)28(36-30)34-26-16-38(6)37-29(26)42(39,40)18(3)4/h13-18,20-22,33H,7-12H2,1-6H3,(H2,32,34,35,36)/t20-,21+ | PDB
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PubMed
| 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 recombinant human wild type ALK using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50159537
(CHEMBL3785722)Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC2CC2)C2CCN(C)CC2)ncc1C Show InChI InChI=1S/C28H39N7O3S/c1-17(2)39(36,37)27-24(16-35(6)33-27)30-26-19(4)15-29-28(32-26)31-23-13-18(3)22(14-25(23)38-21-7-8-21)20-9-11-34(5)12-10-20/h13-17,20-21H,7-12H2,1-6H3,(H2,29,30,31,32) | PDB
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PC cid
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UniChem
Similars
| Article
PubMed
| 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 recombinant human ALK L1196M mutant using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50159518
(CHEMBL3786976)Show SMILES CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2cn(nc2S(=O)(=O)C(C)C)C2CC2)n1 Show InChI InChI=1S/C28H38ClN7O3S/c1-16(2)39-25-13-21(19-8-10-30-11-9-19)18(5)12-23(25)33-28-31-14-22(29)26(34-28)32-24-15-36(20-6-7-20)35-27(24)40(37,38)17(3)4/h12-17,19-20,30H,6-11H2,1-5H3,(H2,31,32,33,34) | PDB
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Similars
| Article
PubMed
| 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 recombinant human wild type ALK using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ |
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
KEGG
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antibodypedia
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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 |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human wild type ALK using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50159535
(CHEMBL3787297)Show SMILES CC(C)S(=O)(=O)c1nc(C)sc1Nc1nc(Nc2cc(C)c(cc2OC2CC2)C2CCN(C)CC2)ncc1Cl Show InChI InChI=1S/C27H35ClN6O3S2/c1-15(2)39(35,36)26-25(38-17(4)30-26)32-24-21(28)14-29-27(33-24)31-22-12-16(3)20(13-23(22)37-19-6-7-19)18-8-10-34(5)11-9-18/h12-15,18-19H,6-11H2,1-5H3,(H2,29,31,32,33) | PDB
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Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human wild type ALK using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50159522
(CHEMBL3785711)Show SMILES CC(C)CS(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC(C)C)C2CCNCC2)ncc1Cl Show InChI InChI=1S/C27H38ClN7O3S/c1-16(2)15-39(36,37)26-23(14-35(6)34-26)31-25-21(28)13-30-27(33-25)32-22-11-18(5)20(12-24(22)38-17(3)4)19-7-9-29-10-8-19/h11-14,16-17,19,29H,7-10,15H2,1-6H3,(H2,30,31,32,33) | PDB
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Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ALK L1196M mutant using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50159515
(CHEMBL3786818)Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC2CC2)[C@@H]2CC[C@@H](CC2)NC2CC2)ncc1Cl |r,wU:28.30,31.37,(-4.74,-11.34,;-3.82,-10.52,;-4.07,-9.32,;-2.36,-11.01,;-2.11,-12.22,;-3.28,-11.83,;-1.21,-9.99,;.3,-10.31,;1.07,-8.98,;2.29,-8.85,;.04,-7.83,;-1.35,-8.47,;-2.68,-7.7,;-2.68,-6.15,;-1.34,-5.39,;-1.34,-3.85,;-0,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.4,1.39,;,1.54,;1.33,.77,;1.33,-.77,;2.67,-1.54,;4,-.77,;5.46,-.81,;4.69,.52,;,3.08,;1.33,3.85,;1.33,5.39,;-0,6.16,;-1.34,5.39,;-1.33,3.85,;-0,7.7,;1.33,8.47,;2.02,9.76,;2.79,8.42,;-2.67,-3.07,;-4.01,-3.84,;-4.01,-5.38,;-5.08,-5.99,)| Show InChI InChI=1S/C30H40ClN7O3S/c1-17(2)42(39,40)29-26(16-38(4)37-29)34-28-24(31)15-32-30(36-28)35-25-13-18(3)23(14-27(25)41-22-11-12-22)19-5-7-20(8-6-19)33-21-9-10-21/h13-17,19-22,33H,5-12H2,1-4H3,(H2,32,34,35,36)/t19-,20+ | 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 recombinant human wild type ALK using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50159523
(CHEMBL3786173)Show SMILES CCN(CC)[C@H]1CC[C@H](CC1)c1cc(OC2CC2)c(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)cc1C |r,wU:8.11,5.4,(-1.35,9.7,;-1.35,8.47,;-.01,7.7,;1.32,8.48,;1.31,9.71,;-0,6.16,;1.33,5.39,;1.33,3.85,;,3.08,;-1.33,3.85,;-1.34,5.39,;,1.54,;1.33,.77,;1.33,-.77,;2.67,-1.54,;4,-.77,;5.46,-.81,;4.69,.52,;,-1.54,;-0,-3.08,;-1.34,-3.85,;-2.67,-3.07,;-4.01,-3.84,;-4.01,-5.38,;-5.08,-5.99,;-2.68,-6.15,;-2.68,-7.7,;-1.35,-8.47,;.04,-7.83,;1.07,-8.98,;2.29,-8.85,;.3,-10.31,;-1.21,-9.99,;-2.36,-11.01,;-2.11,-12.22,;-3.28,-11.83,;-3.82,-10.52,;-4.74,-11.34,;-4.07,-9.32,;-1.34,-5.39,;-1.33,-.77,;-1.33,.77,;-2.4,1.39,)| Show InChI InChI=1S/C31H44ClN7O3S/c1-7-39(8-2)22-11-9-21(10-12-22)24-16-28(42-23-13-14-23)26(15-20(24)5)35-31-33-17-25(32)29(36-31)34-27-18-38(6)37-30(27)43(40,41)19(3)4/h15-19,21-23H,7-14H2,1-6H3,(H2,33,34,35,36)/t21-,22+ | 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 recombinant human wild type ALK using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50159521
(CHEMBL3785232)Show SMILES CCC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC(C)C)C2CCNCC2)ncc1Cl Show InChI InChI=1S/C27H38ClN7O3S/c1-7-18(5)39(36,37)26-23(15-35(6)34-26)31-25-21(28)14-30-27(33-25)32-22-12-17(4)20(13-24(22)38-16(2)3)19-8-10-29-11-9-19/h12-16,18-19,29H,7-11H2,1-6H3,(H2,30,31,32,33) | PDB
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Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human wild type ALK using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50159542
(CHEMBL3786171)Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC2CC2)C2CCOCC2)ncc1Cl Show InChI InChI=1S/C26H33ClN6O4S/c1-15(2)38(34,35)25-22(14-33(4)32-25)29-24-20(27)13-28-26(31-24)30-21-11-16(3)19(17-7-9-36-10-8-17)12-23(21)37-18-5-6-18/h11-15,17-18H,5-10H2,1-4H3,(H2,28,29,30,31) | 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 recombinant human wild type ALK using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50159530
(CHEMBL3785934)Show SMILES CCN(CC)[C@H]1CC[C@@H](CC1)c1cc(OC2CC2)c(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)cc1C |r,wU:8.11,wD:5.4,(-1.35,9.7,;-1.35,8.47,;-.01,7.7,;1.32,8.48,;1.31,9.71,;-0,6.16,;-1.34,5.39,;-1.33,3.85,;,3.08,;1.33,3.85,;1.33,5.39,;,1.54,;1.33,.77,;1.33,-.77,;2.67,-1.54,;4,-.77,;5.46,-.81,;4.69,.52,;,-1.54,;-0,-3.08,;-1.34,-3.85,;-2.67,-3.07,;-4.01,-3.84,;-4.01,-5.38,;-5.08,-5.99,;-2.68,-6.15,;-2.68,-7.7,;-1.35,-8.47,;.04,-7.83,;1.07,-8.98,;2.29,-8.85,;.3,-10.31,;-1.21,-9.99,;-2.36,-11.01,;-2.11,-12.22,;-3.28,-11.83,;-3.82,-10.52,;-4.74,-11.34,;-4.07,-9.32,;-1.34,-5.39,;-1.33,-.77,;-1.33,.77,;-2.4,1.39,)| Show InChI InChI=1S/C31H44ClN7O3S/c1-7-39(8-2)22-11-9-21(10-12-22)24-16-28(42-23-13-14-23)26(15-20(24)5)35-31-33-17-25(32)29(36-31)34-27-18-38(6)37-30(27)43(40,41)19(3)4/h15-19,21-23H,7-14H2,1-6H3,(H2,33,34,35,36)/t21-,22- | 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 recombinant human wild type ALK using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50159517
(CHEMBL3785928)Show SMILES CC(C)N[C@H]1CC[C@@H](CC1)c1cc(OC2CC2)c(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)cc1C |r,wU:7.10,wD:4.3,(1.33,9.7,;1.33,8.47,;2.4,7.86,;-0,7.7,;-0,6.16,;-1.34,5.39,;-1.33,3.85,;,3.08,;1.33,3.85,;1.33,5.39,;,1.54,;1.33,.77,;1.33,-.77,;2.67,-1.54,;4,-.77,;5.46,-.81,;4.69,.52,;,-1.54,;-0,-3.08,;-1.34,-3.85,;-2.67,-3.07,;-4.01,-3.84,;-4.01,-5.38,;-5.08,-5.99,;-2.68,-6.15,;-2.68,-7.7,;-1.35,-8.47,;.04,-7.83,;1.07,-8.98,;2.29,-8.85,;.3,-10.31,;-1.21,-9.99,;-2.36,-11.01,;-2.11,-12.22,;-3.28,-11.83,;-3.82,-10.52,;-4.74,-11.34,;-4.07,-9.32,;-1.34,-5.39,;-1.33,-.77,;-1.33,.77,;-2.4,1.39,)| Show InChI InChI=1S/C30H42ClN7O3S/c1-17(2)33-21-9-7-20(8-10-21)23-14-27(41-22-11-12-22)25(13-19(23)5)35-30-32-15-24(31)28(36-30)34-26-16-38(6)37-29(26)42(39,40)18(3)4/h13-18,20-22,33H,7-12H2,1-6H3,(H2,32,34,35,36)/t20-,21- | 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 recombinant human ALK L1196M mutant using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50159527
(CHEMBL3785665)Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC2CC2)[C@H]2CC[C@@H](CC2)NC2CC2)ncc1Cl |r,wU:28.30,wD:31.37,(-4.74,-11.34,;-3.82,-10.52,;-4.07,-9.32,;-2.36,-11.01,;-2.11,-12.22,;-3.28,-11.83,;-1.21,-9.99,;.3,-10.31,;1.07,-8.98,;2.29,-8.85,;.04,-7.83,;-1.35,-8.47,;-2.68,-7.7,;-2.68,-6.15,;-1.34,-5.39,;-1.34,-3.85,;-0,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.4,1.39,;,1.54,;1.33,.77,;1.33,-.77,;2.67,-1.54,;4,-.77,;5.46,-.81,;4.69,.52,;,3.08,;-1.33,3.85,;-1.34,5.39,;-0,6.16,;1.33,5.39,;1.33,3.85,;-0,7.7,;1.33,8.47,;2.02,9.76,;2.79,8.42,;-2.67,-3.07,;-4.01,-3.84,;-4.01,-5.38,;-5.08,-5.99,)| Show InChI InChI=1S/C30H40ClN7O3S/c1-17(2)42(39,40)29-26(16-38(4)37-29)34-28-24(31)15-32-30(36-28)35-25-13-18(3)23(14-27(25)41-22-11-12-22)19-5-7-20(8-6-19)33-21-9-10-21/h13-17,19-22,33H,5-12H2,1-4H3,(H2,32,34,35,36)/t19-,20- | 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 recombinant human wild type ALK using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50159514
(CHEMBL3785607)Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC2CC2)C2CCS(=O)(=O)CC2)ncc1Cl Show InChI InChI=1S/C26H33ClN6O5S2/c1-15(2)40(36,37)25-22(14-33(4)32-25)29-24-20(27)13-28-26(31-24)30-21-11-16(3)19(12-23(21)38-18-5-6-18)17-7-9-39(34,35)10-8-17/h11-15,17-18H,5-10H2,1-4H3,(H2,28,29,30,31) | 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 recombinant human ALK L1196M mutant using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50159513
(CHEMBL3785825)Show SMILES CC(C)N[C@H]1CC[C@H](CC1)c1cc(OC2CC2)c(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)cc1C |r,wU:7.10,4.3,(1.33,9.7,;1.33,8.47,;2.4,7.86,;-0,7.7,;-0,6.16,;1.33,5.39,;1.33,3.85,;,3.08,;-1.33,3.85,;-1.34,5.39,;,1.54,;1.33,.77,;1.33,-.77,;2.67,-1.54,;4,-.77,;5.46,-.81,;4.69,.52,;,-1.54,;-0,-3.08,;-1.34,-3.85,;-2.67,-3.07,;-4.01,-3.84,;-4.01,-5.38,;-5.08,-5.99,;-2.68,-6.15,;-2.68,-7.7,;-1.35,-8.47,;.04,-7.83,;1.07,-8.98,;2.29,-8.85,;.3,-10.31,;-1.21,-9.99,;-2.36,-11.01,;-2.11,-12.22,;-3.28,-11.83,;-3.82,-10.52,;-4.74,-11.34,;-4.07,-9.32,;-1.34,-5.39,;-1.33,-.77,;-1.33,.77,;-2.4,1.39,)| Show InChI InChI=1S/C30H42ClN7O3S/c1-17(2)33-21-9-7-20(8-10-21)23-14-27(41-22-11-12-22)25(13-19(23)5)35-30-32-15-24(31)28(36-30)34-26-16-38(6)37-29(26)42(39,40)18(3)4/h13-18,20-22,33H,7-12H2,1-6H3,(H2,32,34,35,36)/t20-,21+ | 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 recombinant human ALK L1196M mutant using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50159531
(CHEMBL3786148)Show SMILES CN1CCC(CC1)c1cc(OC2CC2)c(Nc2ncc(Cl)c(Nc3cn(C)nc3C#N)n2)cc1C Show InChI InChI=1S/C25H29ClN8O/c1-15-10-20(23(35-17-4-5-17)11-18(15)16-6-8-33(2)9-7-16)30-25-28-13-19(26)24(31-25)29-22-14-34(3)32-21(22)12-27/h10-11,13-14,16-17H,4-9H2,1-3H3,(H2,28,29,30,31) | 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 recombinant human ALK L1196M mutant using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50159521
(CHEMBL3785232)Show SMILES CCC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC(C)C)C2CCNCC2)ncc1Cl Show InChI InChI=1S/C27H38ClN7O3S/c1-7-18(5)39(36,37)26-23(15-35(6)34-26)31-25-21(28)14-30-27(33-25)32-22-12-17(4)20(13-24(22)38-16(2)3)19-8-10-29-11-9-19/h12-16,18-19,29H,7-11H2,1-6H3,(H2,30,31,32,33) | 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 recombinant human ALK L1196M mutant using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50159530
(CHEMBL3785934)Show SMILES CCN(CC)[C@H]1CC[C@@H](CC1)c1cc(OC2CC2)c(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)cc1C |r,wU:8.11,wD:5.4,(-1.35,9.7,;-1.35,8.47,;-.01,7.7,;1.32,8.48,;1.31,9.71,;-0,6.16,;-1.34,5.39,;-1.33,3.85,;,3.08,;1.33,3.85,;1.33,5.39,;,1.54,;1.33,.77,;1.33,-.77,;2.67,-1.54,;4,-.77,;5.46,-.81,;4.69,.52,;,-1.54,;-0,-3.08,;-1.34,-3.85,;-2.67,-3.07,;-4.01,-3.84,;-4.01,-5.38,;-5.08,-5.99,;-2.68,-6.15,;-2.68,-7.7,;-1.35,-8.47,;.04,-7.83,;1.07,-8.98,;2.29,-8.85,;.3,-10.31,;-1.21,-9.99,;-2.36,-11.01,;-2.11,-12.22,;-3.28,-11.83,;-3.82,-10.52,;-4.74,-11.34,;-4.07,-9.32,;-1.34,-5.39,;-1.33,-.77,;-1.33,.77,;-2.4,1.39,)| Show InChI InChI=1S/C31H44ClN7O3S/c1-7-39(8-2)22-11-9-21(10-12-22)24-16-28(42-23-13-14-23)26(15-20(24)5)35-31-33-17-25(32)29(36-31)34-27-18-38(6)37-30(27)43(40,41)19(3)4/h15-19,21-23H,7-14H2,1-6H3,(H2,33,34,35,36)/t21-,22- | 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 recombinant human ALK L1196M mutant using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50159528
(CHEMBL3786830)Show SMILES CNC(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC2CC2)C2CCN(C)CC2)ncc1Cl Show InChI InChI=1S/C26H33ClN8O2/c1-15-11-20(22(37-17-5-6-17)12-18(15)16-7-9-34(3)10-8-16)31-26-29-13-19(27)24(32-26)30-21-14-35(4)33-23(21)25(36)28-2/h11-14,16-17H,5-10H2,1-4H3,(H,28,36)(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 recombinant human wild type ALK using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50159518
(CHEMBL3786976)Show SMILES CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2cn(nc2S(=O)(=O)C(C)C)C2CC2)n1 Show InChI InChI=1S/C28H38ClN7O3S/c1-16(2)39-25-13-21(19-8-10-30-11-9-19)18(5)12-23(25)33-28-31-14-22(29)26(34-28)32-24-15-36(20-6-7-20)35-27(24)40(37,38)17(3)4/h12-17,19-20,30H,6-11H2,1-5H3,(H2,31,32,33,34) | 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 recombinant human ALK L1196M mutant using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ |
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 | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ALK L1196M mutant using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50159523
(CHEMBL3786173)Show SMILES CCN(CC)[C@H]1CC[C@H](CC1)c1cc(OC2CC2)c(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)cc1C |r,wU:8.11,5.4,(-1.35,9.7,;-1.35,8.47,;-.01,7.7,;1.32,8.48,;1.31,9.71,;-0,6.16,;1.33,5.39,;1.33,3.85,;,3.08,;-1.33,3.85,;-1.34,5.39,;,1.54,;1.33,.77,;1.33,-.77,;2.67,-1.54,;4,-.77,;5.46,-.81,;4.69,.52,;,-1.54,;-0,-3.08,;-1.34,-3.85,;-2.67,-3.07,;-4.01,-3.84,;-4.01,-5.38,;-5.08,-5.99,;-2.68,-6.15,;-2.68,-7.7,;-1.35,-8.47,;.04,-7.83,;1.07,-8.98,;2.29,-8.85,;.3,-10.31,;-1.21,-9.99,;-2.36,-11.01,;-2.11,-12.22,;-3.28,-11.83,;-3.82,-10.52,;-4.74,-11.34,;-4.07,-9.32,;-1.34,-5.39,;-1.33,-.77,;-1.33,.77,;-2.4,1.39,)| Show InChI InChI=1S/C31H44ClN7O3S/c1-7-39(8-2)22-11-9-21(10-12-22)24-16-28(42-23-13-14-23)26(15-20(24)5)35-31-33-17-25(32)29(36-31)34-27-18-38(6)37-30(27)43(40,41)19(3)4/h15-19,21-23H,7-14H2,1-6H3,(H2,33,34,35,36)/t21-,22+ | 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 recombinant human ALK L1196M mutant using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50159527
(CHEMBL3785665)Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC2CC2)[C@H]2CC[C@@H](CC2)NC2CC2)ncc1Cl |r,wU:28.30,wD:31.37,(-4.74,-11.34,;-3.82,-10.52,;-4.07,-9.32,;-2.36,-11.01,;-2.11,-12.22,;-3.28,-11.83,;-1.21,-9.99,;.3,-10.31,;1.07,-8.98,;2.29,-8.85,;.04,-7.83,;-1.35,-8.47,;-2.68,-7.7,;-2.68,-6.15,;-1.34,-5.39,;-1.34,-3.85,;-0,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.4,1.39,;,1.54,;1.33,.77,;1.33,-.77,;2.67,-1.54,;4,-.77,;5.46,-.81,;4.69,.52,;,3.08,;-1.33,3.85,;-1.34,5.39,;-0,6.16,;1.33,5.39,;1.33,3.85,;-0,7.7,;1.33,8.47,;2.02,9.76,;2.79,8.42,;-2.67,-3.07,;-4.01,-3.84,;-4.01,-5.38,;-5.08,-5.99,)| Show InChI InChI=1S/C30H40ClN7O3S/c1-17(2)42(39,40)29-26(16-38(4)37-29)34-28-24(31)15-32-30(36-28)35-25-13-18(3)23(14-27(25)41-22-11-12-22)19-5-7-20(8-6-19)33-21-9-10-21/h13-17,19-22,33H,5-12H2,1-4H3,(H2,32,34,35,36)/t19-,20- | PDB
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ALK L1196M mutant using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50157641
(CHEMBL3787658)Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC2CC2)[C@H]2CC[C@@H](CC2)N2CCN(CC2)C(C)=O)ncc1Cl |r,wU:28.30,wD:31.37,(-4.74,-11.34,;-3.82,-10.52,;-4.07,-9.32,;-2.36,-11.01,;-2.11,-12.22,;-3.28,-11.83,;-1.21,-9.99,;.3,-10.31,;1.07,-8.98,;2.29,-8.85,;.04,-7.83,;-1.35,-8.47,;-2.68,-7.7,;-2.68,-6.15,;-1.34,-5.39,;-1.34,-3.85,;-0,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.4,1.39,;,1.54,;1.33,.77,;1.33,-.77,;2.67,-1.54,;4,-.77,;5.46,-.81,;4.69,.52,;,3.08,;-1.33,3.85,;-1.34,5.39,;-0,6.16,;1.33,5.39,;1.33,3.85,;-.01,7.7,;-1.34,8.47,;-1.34,10.01,;-.01,10.78,;1.33,10.01,;1.33,8.47,;-0,12.32,;-1.07,12.94,;1.06,12.94,;-2.67,-3.07,;-4.01,-3.84,;-4.01,-5.38,;-5.08,-5.99,)| Show InChI InChI=1S/C33H45ClN8O4S/c1-20(2)47(44,45)32-29(19-40(5)39-32)36-31-27(34)18-35-33(38-31)37-28-16-21(3)26(17-30(28)46-25-10-11-25)23-6-8-24(9-7-23)42-14-12-41(13-15-42)22(4)43/h16-20,23-25H,6-15H2,1-5H3,(H2,35,36,37,38)/t23-,24- | PDB
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ALK L1196M mutant using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50159539
(CHEMBL3787598)Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC2CC2)C2CCN(C)CC2)ncc1F Show InChI InChI=1S/C27H36FN7O3S/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
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ALK L1196M mutant using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50157641
(CHEMBL3787658)Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC2CC2)[C@H]2CC[C@@H](CC2)N2CCN(CC2)C(C)=O)ncc1Cl |r,wU:28.30,wD:31.37,(-4.74,-11.34,;-3.82,-10.52,;-4.07,-9.32,;-2.36,-11.01,;-2.11,-12.22,;-3.28,-11.83,;-1.21,-9.99,;.3,-10.31,;1.07,-8.98,;2.29,-8.85,;.04,-7.83,;-1.35,-8.47,;-2.68,-7.7,;-2.68,-6.15,;-1.34,-5.39,;-1.34,-3.85,;-0,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.4,1.39,;,1.54,;1.33,.77,;1.33,-.77,;2.67,-1.54,;4,-.77,;5.46,-.81,;4.69,.52,;,3.08,;-1.33,3.85,;-1.34,5.39,;-0,6.16,;1.33,5.39,;1.33,3.85,;-.01,7.7,;-1.34,8.47,;-1.34,10.01,;-.01,10.78,;1.33,10.01,;1.33,8.47,;-0,12.32,;-1.07,12.94,;1.06,12.94,;-2.67,-3.07,;-4.01,-3.84,;-4.01,-5.38,;-5.08,-5.99,)| Show InChI InChI=1S/C33H45ClN8O4S/c1-20(2)47(44,45)32-29(19-40(5)39-32)36-31-27(34)18-35-33(38-31)37-28-16-21(3)26(17-30(28)46-25-10-11-25)23-6-8-24(9-7-23)42-14-12-41(13-15-42)22(4)43/h16-20,23-25H,6-15H2,1-5H3,(H2,35,36,37,38)/t23-,24- | PDB
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ALK L1196M mutant using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50159542
(CHEMBL3786171)Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC2CC2)C2CCOCC2)ncc1Cl Show InChI InChI=1S/C26H33ClN6O4S/c1-15(2)38(34,35)25-22(14-33(4)32-25)29-24-20(27)13-28-26(31-24)30-21-11-16(3)19(17-7-9-36-10-8-17)12-23(21)37-18-5-6-18/h11-15,17-18H,5-10H2,1-4H3,(H2,28,29,30,31) | PDB
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ALK L1196M mutant using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50159536
(CHEMBL3786916)Show SMILES CC(C)S(=O)(=O)c1sc(C)nc1Nc1nc(Nc2cc(C)c(cc2OC2CC2)C2CCN(C)CC2)ncc1Cl Show InChI InChI=1S/C27H35ClN6O3S2/c1-15(2)39(35,36)26-25(30-17(4)38-26)32-24-21(28)14-29-27(33-24)31-22-12-16(3)20(13-23(22)37-19-6-7-19)18-8-10-34(5)11-9-18/h12-15,18-19H,6-11H2,1-5H3,(H2,29,31,32,33) | PDB
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ALK L1196M mutant using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50157640
(CHEMBL3787494)Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC2CC2)[C@H]2CC[C@@H](CC2)NS(C)(=O)=O)ncc1Cl |r,wU:28.30,wD:31.37,(-4.74,-11.34,;-3.82,-10.52,;-4.07,-9.32,;-2.36,-11.01,;-2.11,-12.22,;-3.28,-11.83,;-1.21,-9.99,;.3,-10.31,;1.07,-8.98,;2.29,-8.85,;.04,-7.83,;-1.35,-8.47,;-2.68,-7.7,;-2.68,-6.15,;-1.34,-5.39,;-1.34,-3.85,;-0,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.4,1.39,;,1.54,;1.33,.77,;1.33,-.77,;2.67,-1.54,;4,-.77,;5.46,-.81,;4.69,.52,;,3.08,;-1.33,3.85,;-1.34,5.39,;-0,6.16,;1.33,5.39,;1.33,3.85,;-0,7.7,;1.33,8.47,;2.4,9.09,;1.33,9.7,;2.4,7.86,;-2.67,-3.07,;-4.01,-3.84,;-4.01,-5.38,;-5.08,-5.99,)| Show InChI InChI=1S/C28H38ClN7O5S2/c1-16(2)43(39,40)27-24(15-36(4)34-27)31-26-22(29)14-30-28(33-26)32-23-12-17(3)21(13-25(23)41-20-10-11-20)18-6-8-19(9-7-18)35-42(5,37)38/h12-16,18-20,35H,6-11H2,1-5H3,(H2,30,31,32,33)/t18-,19- | 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 recombinant human ALK L1196M mutant using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50159544
(CHEMBL3787103)Show SMILES CCn1cc(Nc2nc(Nc3cc(C)c(cc3OC(C)C)C3CCNCC3)ncc2Cl)c(n1)S(=O)(=O)C(C)C Show InChI InChI=1S/C27H38ClN7O3S/c1-7-35-15-23(26(34-35)39(36,37)17(4)5)31-25-21(28)14-30-27(33-25)32-22-12-18(6)20(13-24(22)38-16(2)3)19-8-10-29-11-9-19/h12-17,19,29H,7-11H2,1-6H3,(H2,30,31,32,33) | 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 recombinant human wild type ALK using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50157640
(CHEMBL3787494)Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC2CC2)[C@H]2CC[C@@H](CC2)NS(C)(=O)=O)ncc1Cl |r,wU:28.30,wD:31.37,(-4.74,-11.34,;-3.82,-10.52,;-4.07,-9.32,;-2.36,-11.01,;-2.11,-12.22,;-3.28,-11.83,;-1.21,-9.99,;.3,-10.31,;1.07,-8.98,;2.29,-8.85,;.04,-7.83,;-1.35,-8.47,;-2.68,-7.7,;-2.68,-6.15,;-1.34,-5.39,;-1.34,-3.85,;-0,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.4,1.39,;,1.54,;1.33,.77,;1.33,-.77,;2.67,-1.54,;4,-.77,;5.46,-.81,;4.69,.52,;,3.08,;-1.33,3.85,;-1.34,5.39,;-0,6.16,;1.33,5.39,;1.33,3.85,;-0,7.7,;1.33,8.47,;2.4,9.09,;1.33,9.7,;2.4,7.86,;-2.67,-3.07,;-4.01,-3.84,;-4.01,-5.38,;-5.08,-5.99,)| Show InChI InChI=1S/C28H38ClN7O5S2/c1-16(2)43(39,40)27-24(15-36(4)34-27)31-26-22(29)14-30-28(33-26)32-23-12-17(3)21(13-25(23)41-20-10-11-20)18-6-8-19(9-7-18)35-42(5,37)38/h12-16,18-20,35H,6-11H2,1-5H3,(H2,30,31,32,33)/t18-,19- | 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 recombinant human ALK L1196M mutant using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50159515
(CHEMBL3786818)Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC2CC2)[C@@H]2CC[C@@H](CC2)NC2CC2)ncc1Cl |r,wU:28.30,31.37,(-4.74,-11.34,;-3.82,-10.52,;-4.07,-9.32,;-2.36,-11.01,;-2.11,-12.22,;-3.28,-11.83,;-1.21,-9.99,;.3,-10.31,;1.07,-8.98,;2.29,-8.85,;.04,-7.83,;-1.35,-8.47,;-2.68,-7.7,;-2.68,-6.15,;-1.34,-5.39,;-1.34,-3.85,;-0,-3.08,;,-1.54,;-1.33,-.77,;-1.33,.77,;-2.4,1.39,;,1.54,;1.33,.77,;1.33,-.77,;2.67,-1.54,;4,-.77,;5.46,-.81,;4.69,.52,;,3.08,;1.33,3.85,;1.33,5.39,;-0,6.16,;-1.34,5.39,;-1.33,3.85,;-0,7.7,;1.33,8.47,;2.02,9.76,;2.79,8.42,;-2.67,-3.07,;-4.01,-3.84,;-4.01,-5.38,;-5.08,-5.99,)| Show InChI InChI=1S/C30H40ClN7O3S/c1-17(2)42(39,40)29-26(16-38(4)37-29)34-28-24(31)15-32-30(36-28)35-25-13-18(3)23(14-27(25)41-22-11-12-22)19-5-7-20(8-6-19)33-21-9-10-21/h13-17,19-22,33H,5-12H2,1-4H3,(H2,32,34,35,36)/t19-,20+ | 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 recombinant human ALK L1196M mutant using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50159535
(CHEMBL3787297)Show SMILES CC(C)S(=O)(=O)c1nc(C)sc1Nc1nc(Nc2cc(C)c(cc2OC2CC2)C2CCN(C)CC2)ncc1Cl Show InChI InChI=1S/C27H35ClN6O3S2/c1-15(2)39(35,36)26-25(38-17(4)30-26)32-24-21(28)14-29-27(33-24)31-22-12-16(3)20(13-23(22)37-19-6-7-19)18-8-10-34(5)11-9-18/h12-15,18-19H,6-11H2,1-5H3,(H2,29,31,32,33) | 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 recombinant human ALK L1196M mutant using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50159520
(CHEMBL3786006)Show SMILES CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2c[nH]nc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C25H34ClN7O3S/c1-14(2)36-22-11-18(17-6-8-27-9-7-17)16(5)10-20(22)31-25-28-12-19(26)23(32-25)30-21-13-29-33-24(21)37(34,35)15(3)4/h10-15,17,27H,6-9H2,1-5H3,(H,29,33)(H2,28,30,31,32) | 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 recombinant human wild type ALK using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50159528
(CHEMBL3786830)Show SMILES CNC(=O)c1nn(C)cc1Nc1nc(Nc2cc(C)c(cc2OC2CC2)C2CCN(C)CC2)ncc1Cl Show InChI InChI=1S/C26H33ClN8O2/c1-15-11-20(22(37-17-5-6-17)12-18(15)16-7-9-34(3)10-8-16)31-26-29-13-19(27)24(32-26)30-21-14-35(4)33-23(21)25(36)28-2/h11-14,16-17H,5-10H2,1-4H3,(H,28,36)(H2,29,30,31,32) | PDB
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| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ALK L1196M mutant using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50159544
(CHEMBL3787103)Show SMILES CCn1cc(Nc2nc(Nc3cc(C)c(cc3OC(C)C)C3CCNCC3)ncc2Cl)c(n1)S(=O)(=O)C(C)C Show InChI InChI=1S/C27H38ClN7O3S/c1-7-35-15-23(26(34-35)39(36,37)17(4)5)31-25-21(28)14-30-27(33-25)32-22-12-18(6)20(13-24(22)38-16(2)3)19-8-10-29-11-9-19/h12-17,19,29H,7-11H2,1-6H3,(H2,30,31,32,33) | PDB
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| 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 recombinant human ALK L1196M mutant using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50159520
(CHEMBL3786006)Show SMILES CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2c[nH]nc2S(=O)(=O)C(C)C)n1 Show InChI InChI=1S/C25H34ClN7O3S/c1-14(2)36-22-11-18(17-6-8-27-9-7-17)16(5)10-20(22)31-25-28-12-19(26)23(32-25)30-21-13-29-33-24(21)37(34,35)15(3)4/h10-15,17,27H,6-9H2,1-5H3,(H,29,33)(H2,28,30,31,32) | PDB
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| 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 recombinant human ALK L1196M mutant using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50159540
(CHEMBL3785304)Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1ncnc(Nc2cc(C)c(cc2OC2CC2)C2CCN(C)CC2)n1 Show InChI InChI=1S/C26H36N8O3S/c1-16(2)38(35,36)24-22(14-34(5)32-24)30-26-28-15-27-25(31-26)29-21-12-17(3)20(13-23(21)37-19-6-7-19)18-8-10-33(4)11-9-18/h12-16,18-19H,6-11H2,1-5H3,(H2,27,28,29,30,31) | PDB
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| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human wild type ALK using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50159519
(CHEMBL3785999)Show SMILES CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2cn(C)nc2S(C)(=O)=O)n1 Show InChI InChI=1S/C24H32ClN7O3S/c1-14(2)35-21-11-17(16-6-8-26-9-7-16)15(3)10-19(21)29-24-27-12-18(25)22(30-24)28-20-13-32(4)31-23(20)36(5,33)34/h10-14,16,26H,6-9H2,1-5H3,(H2,27,28,29,30) | PDB
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| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human wild type ALK using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50159519
(CHEMBL3785999)Show SMILES CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2cn(C)nc2S(C)(=O)=O)n1 Show InChI InChI=1S/C24H32ClN7O3S/c1-14(2)35-21-11-17(16-6-8-26-9-7-16)15(3)10-19(21)29-24-27-12-18(25)22(30-24)28-20-13-32(4)31-23(20)36(5,33)34/h10-14,16,26H,6-9H2,1-5H3,(H2,27,28,29,30) | PDB
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| n/a | n/a | 94 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ALK L1196M mutant using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50159540
(CHEMBL3785304)Show SMILES CC(C)S(=O)(=O)c1nn(C)cc1Nc1ncnc(Nc2cc(C)c(cc2OC2CC2)C2CCN(C)CC2)n1 Show InChI InChI=1S/C26H36N8O3S/c1-16(2)38(35,36)24-22(14-34(5)32-24)30-26-28-15-27-25(31-26)29-21-12-17(3)20(13-23(21)37-19-6-7-19)18-8-10-33(4)11-9-18/h12-16,18-19H,6-11H2,1-5H3,(H2,27,28,29,30,31) | PDB
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| n/a | n/a | 111 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ALK L1196M mutant using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50159516
(CHEMBL3787422)Show SMILES COc1ccc(Cn2cc(Nc3nc(Nc4cc(C)c(cc4OC(C)C)C4CCNCC4)ncc3Cl)c(n2)S(=O)(=O)C(C)C)cc1 Show InChI InChI=1S/C33H42ClN7O4S/c1-20(2)45-30-16-26(24-11-13-35-14-12-24)22(5)15-28(30)38-33-36-17-27(34)31(39-33)37-29-19-41(40-32(29)46(42,43)21(3)4)18-23-7-9-25(44-6)10-8-23/h7-10,15-17,19-21,24,35H,11-14,18H2,1-6H3,(H2,36,37,38,39) | PDB
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| n/a | n/a | 129 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human wild type ALK using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50159516
(CHEMBL3787422)Show SMILES COc1ccc(Cn2cc(Nc3nc(Nc4cc(C)c(cc4OC(C)C)C4CCNCC4)ncc3Cl)c(n2)S(=O)(=O)C(C)C)cc1 Show InChI InChI=1S/C33H42ClN7O4S/c1-20(2)45-30-16-26(24-11-13-35-14-12-24)22(5)15-28(30)38-33-36-17-27(34)31(39-33)37-29-19-41(40-32(29)46(42,43)21(3)4)18-23-7-9-25(44-6)10-8-23/h7-10,15-17,19-21,24,35H,11-14,18H2,1-6H3,(H2,36,37,38,39) | PDB
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| Article
PubMed
| n/a | n/a | 157 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ALK L1196M mutant using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50158374
(CHEMBL3786714)Show SMILES CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2cn(C)nc2S(=O)(=O)C2CC2)n1 Show InChI InChI=1S/C26H34ClN7O3S/c1-15(2)37-23-12-19(17-7-9-28-10-8-17)16(3)11-21(23)31-26-29-13-20(27)24(32-26)30-22-14-34(4)33-25(22)38(35,36)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 | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ALK L1196M mutant using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50158376
(CHEMBL3786002)Show SMILES CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2cn(C)nc2S(=O)(=O)C(C)C(C)C)n1 Show InChI InChI=1S/C28H40ClN7O3S/c1-16(2)19(6)40(37,38)27-24(15-36(7)35-27)32-26-22(29)14-31-28(34-26)33-23-12-18(5)21(13-25(23)39-17(3)4)20-8-10-30-11-9-20/h12-17,19-20,30H,8-11H2,1-7H3,(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 | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ALK L1196M mutant using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50158376
(CHEMBL3786002)Show SMILES CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2cn(C)nc2S(=O)(=O)C(C)C(C)C)n1 Show InChI InChI=1S/C28H40ClN7O3S/c1-16(2)19(6)40(37,38)27-24(15-36(7)35-27)32-26-22(29)14-31-28(34-26)33-23-12-18(5)21(13-25(23)39-17(3)4)20-8-10-30-11-9-20/h12-17,19-20,30H,8-11H2,1-7H3,(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 | 3.91E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ALK L1196M mutant using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50158393
(CHEMBL3787638)Show SMILES CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2cn(C)nc2S(=O)(=O)N(C)C)n1 Show InChI InChI=1S/C25H35ClN8O3S/c1-15(2)37-22-12-18(17-7-9-27-10-8-17)16(3)11-20(22)30-25-28-13-19(26)23(31-25)29-21-14-34(6)32-24(21)38(35,36)33(4)5/h11-15,17,27H,7-10H2,1-6H3,(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 | 6.68E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ALK L1196M mutant using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50158393
(CHEMBL3787638)Show SMILES CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2cn(C)nc2S(=O)(=O)N(C)C)n1 Show InChI InChI=1S/C25H35ClN8O3S/c1-15(2)37-22-12-18(17-7-9-27-10-8-17)16(3)11-20(22)30-25-28-13-19(26)23(31-25)29-21-14-34(6)32-24(21)38(35,36)33(4)5/h11-15,17,27H,7-10H2,1-6H3,(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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ALK L1196M mutant using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ |
More data for this
Ligand-Target Pair | |
ALK tyrosine kinase receptor
(Homo sapiens (Human)) | BDBM50158374
(CHEMBL3786714)Show SMILES CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc1ncc(Cl)c(Nc2cn(C)nc2S(=O)(=O)C2CC2)n1 Show InChI InChI=1S/C26H34ClN7O3S/c1-15(2)37-23-12-19(17-7-9-28-10-8-17)16(3)11-21(23)31-26-29-13-20(27)24(32-26)30-22-14-34(4)33-25(22)38(35,36)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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Beijing Pearl Biotech Ltd
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human ALK L1196M mutant using tyrosine kinase substrate-biotin after 30 mins by HTRF assay |
Bioorg Med Chem Lett 26: 1910-8 (2016)
Article DOI: 10.1016/j.bmcl.2016.03.017
BindingDB Entry DOI: 10.7270/Q26M38QJ |
More data for this
Ligand-Target Pair | |
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