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| 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 (318/320 > 99%)† (Homo sapiens (Human)) | BDBM50306682 ((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.740 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Inhibition of wild type human recombinant ALK kinase domain (amino acids 1093 to 1141) expressed in baculovirus system using 5'FAM-KKSRGDYMTMQIG-CONH... | J Med Chem 57: 4720-44 (2014) Article DOI: 10.1021/jm500261q BindingDB Entry DOI: 10.7270/Q2K35W68 | |||||||||||
| More data for this Ligand-Target Pair |  3D Structure (crystal) | ||||||||||||
| ALK tyrosine kinase receptor (318/320 > 99%)† (Homo sapiens (Human)) | BDBM50306682 ((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 8.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Inhibition of human recombinant ALK L1196M mutant kinase domain (amino acids 1093 to 1141) expressed in baculovirus system using 5'FAM-KKSRGDYMTMQIG-... | J Med Chem 57: 4720-44 (2014) Article DOI: 10.1021/jm500261q BindingDB Entry DOI: 10.7270/Q2K35W68 | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| ALK tyrosine kinase receptor (318/320 > 99%)† (Homo sapiens (Human)) | BDBM50306682 ((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 0.640 | n/a | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Inhibition of human ALK using poly[Glu:Tyr] (4:1) as substrate and [gamma-33P]ATP measured after 1 hr | J Med Chem 59: 4948-64 (2016) Article DOI: 10.1021/acs.jmedchem.6b00306 BindingDB Entry DOI: 10.7270/Q2NK3H0Q | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| ALK tyrosine kinase receptor (318/320 > 99%)† (Homo sapiens (Human)) | BDBM50306682 ((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Inhibition of ALK | J Med Chem 54: 6342-63 (2011) Article DOI: 10.1021/jm2007613 BindingDB Entry DOI: 10.7270/Q2Q52Q09 | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| ALK tyrosine kinase receptor (C1156Y) (318/320 > 99%)† (Homo sapiens (Human)) | BDBM50306682 ((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...) | PDB GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB US Patent | n/a | n/a | <1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing Allgen Pharma Co. Ltd. US Patent | Assay Description The inhibitory activities of compounds of Formula I were assay at Reaction Biology Corporation, One Great Valley Parkway, Malvern, Pa., USA. Human ... | US Patent US9226923 (2016) BindingDB Entry DOI: 10.7270/Q2JQ0ZT5 | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| ALK tyrosine kinase receptor (318/320 > 99%)† (Homo sapiens (Human)) | BDBM50306682 ((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | >2 | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Inc. | Assay Description The compounds were evaluated in a transcriptional activation assay with hAR in a mammalian cell background (CV-1) as the primary in vitro assay. Rece... | J Med Chem 50: 5049-52 (2007) Article DOI: 10.1021/jm070231h BindingDB Entry DOI: 10.7270/Q29Z935Z | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| ALK tyrosine kinase receptor (318/320 > 99%)† (Homo sapiens (Human)) | BDBM50306682 ((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB US Patent | n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing Allgen Pharma Co. Ltd. US Patent | Assay Description The inhibitory activities of compounds of Formula I were assay at Reaction Biology Corporation, One Great Valley Parkway, Malvern, Pa., USA. Human ... | US Patent US9226923 (2016) BindingDB Entry DOI: 10.7270/Q2JQ0ZT5 | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| ALK tyrosine kinase receptor (F1174L) (317/320 > 99%)† (Homo sapiens (Human)) | BDBM50306682 ((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...) | PDB GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB US Patent | n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing Allgen Pharma Co. Ltd. US Patent | Assay Description The inhibitory activities of compounds of Formula I were assay at Reaction Biology Corporation, One Great Valley Parkway, Malvern, Pa., USA. Human ... | US Patent US9226923 (2016) BindingDB Entry DOI: 10.7270/Q2JQ0ZT5 | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| ALK tyrosine kinase receptor (R1275Q) (317/320 > 99%)† (Homo sapiens (Human)) | BDBM50306682 ((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...) | PDB GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB US Patent | n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing Allgen Pharma Co. Ltd. US Patent | Assay Description The inhibitory activities of compounds of Formula I were assay at Reaction Biology Corporation, One Great Valley Parkway, Malvern, Pa., USA. Human ... | US Patent US9226923 (2016) BindingDB Entry DOI: 10.7270/Q2JQ0ZT5 | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| ALK tyrosine kinase receptor (318/320 > 99%)† (Homo sapiens (Human)) | BDBM50306682 ((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories Curated by ChEMBL | Assay Description Inhibition of ALK (unknown origin) | J Med Chem 56: 6991-7002 (2013) Article DOI: 10.1021/jm400798j BindingDB Entry DOI: 10.7270/Q2G44RQC | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| ALK tyrosine kinase receptor (L1196M) (317/320 > 99%)† (Homo sapiens (Human)) | BDBM50306682 ((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...) | PDB MMDB B.MOAD GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB US Patent | n/a | n/a | 7.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing Allgen Pharma Co. Ltd. US Patent | Assay Description The inhibitory activities of compounds of Formula I were assay at Reaction Biology Corporation, One Great Valley Parkway, Malvern, Pa., USA. Human ... | US Patent US9226923 (2016) BindingDB Entry DOI: 10.7270/Q2JQ0ZT5 | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| Anaplastic lymphoma kinase C1156Y (ALK C1156Y) (319/320 > 99%)† (Homo sapiens (Human)) | BDBM50306682 ((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...) | PDB MMDB KEGG B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 7.67 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Tianjin University of Science and Technology | Assay Description The ALK kinase activity of five target compounds and three positive compounds were evaluated using standard homogeneous time-resolved fluorescence (H... | Bioorg Chem 65: 146-58 (2016) Article DOI: 10.1016/j.bioorg.2016.02.009 BindingDB Entry DOI: 10.7270/Q2VT1QVX | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| ALK tyrosine kinase receptor (318/320 > 99%)† (Homo sapiens (Human)) | BDBM50306682 ((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences Curated by ChEMBL | Assay Description Inhibition of ALK (unknown origin) after 60 mins by ELISA | J Med Chem 58: 197-211 (2015) Article DOI: 10.1021/jm5005144 BindingDB Entry DOI: 10.7270/Q2FB54MQ | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| ALK tyrosine kinase receptor (318/320 > 99%)† (Homo sapiens (Human)) | BDBM50306682 ((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 17.3 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Tianjin University of Science and Technology | Assay Description The ALK kinase activity of five target compounds and three positive compounds were evaluated using standard homogeneous time-resolved fluorescence (H... | Bioorg Chem 65: 146-58 (2016) Article DOI: 10.1016/j.bioorg.2016.02.009 BindingDB Entry DOI: 10.7270/Q2VT1QVX | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| ALK tyrosine kinase receptor (318/320 > 99%)† (Homo sapiens (Human)) | BDBM179803 (3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(pi...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 17.6 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Tianjin University of Science and Technology | Assay Description The ALK kinase activity of five target compounds and three positive compounds were evaluated using standard homogeneous time-resolved fluorescence (H... | Bioorg Chem 65: 146-58 (2016) Article DOI: 10.1016/j.bioorg.2016.02.009 BindingDB Entry DOI: 10.7270/Q2VT1QVX | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| ALK tyrosine kinase receptor (318/320 > 99%)† (Homo sapiens (Human)) | BDBM50306682 ((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Inhibition of ALK in human KARPAS299 cells assessed as growth factor-induced autophosphorylation by sandwich ELISA method | J Med Chem 54: 6342-63 (2011) Article DOI: 10.1021/jm2007613 BindingDB Entry DOI: 10.7270/Q2Q52Q09 | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| ALK tyrosine kinase receptor (318/320 > 99%)† (Homo sapiens (Human)) | BDBM50306682 ((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Inhibition of ALK by cellular assay | Proc Natl Acad Sci USA 104: 19936-41 (2007) Article DOI: 10.1073/pnas.0707498104 BindingDB Entry DOI: 10.7270/Q24X58QS | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| ALK tyrosine kinase receptor (318/320 > 99%)† (Homo sapiens (Human)) | BDBM50306682 ((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University of Science and Technology Curated by ChEMBL | Assay Description Inhibition of ALK (unknown origin) | Eur J Med Chem 90: 195-208 (2015) Article DOI: 10.1016/j.ejmech.2014.11.023 BindingDB Entry DOI: 10.7270/Q2M61MX6 | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| ALK tyrosine kinase receptor (318/320 > 99%)† (Homo sapiens (Human)) | BDBM50306682 ((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Shenyang Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of ALK (unknown origin) using peptide as substrate after 60 mins by HTRF assay | Eur J Med Chem 123: 80-89 (2016) Article DOI: 10.1016/j.ejmech.2016.06.056 BindingDB Entry DOI: 10.7270/Q2MK6FVX | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| ALK tyrosine kinase receptor (318/320 > 99%)† (Homo sapiens (Human)) | BDBM50306682 ((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
State Key Laboratory of Drug Research Curated by ChEMBL | Assay Description Inhibition of purified recombinant ALK (unknown origin) after 60 mins by ELISA | ACS Med Chem Lett 5: 304-8 (2014) Article DOI: 10.1021/ml400373j BindingDB Entry DOI: 10.7270/Q2CN75F4 | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| ALK tyrosine kinase receptor (318/320 > 99%)† (Homo sapiens (Human)) | BDBM50306682 ((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB US Patent | n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | 25 |
KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY US Patent | Assay Description In order to measure the inhibitory activity against ALK, a Grainer 96-well round type bottom plate was added with the compounds (2 μl) prepared ... | US Patent US9199944 (2015) BindingDB Entry DOI: 10.7270/Q2J96558 | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| ALK tyrosine kinase receptor (318/320 > 99%)† (Homo sapiens (Human)) | BDBM179803 (3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(pi...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase PC cid PC sid PDB UniChem Similars | PDB US Patent | n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | 25 |
KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY US Patent | Assay Description A proliferation inhibitory activity against the ALK of the compound represented by Chemical Formula 1 according to the present invention at an enzyme... | US Patent US10053458 (2018) BindingDB Entry DOI: 10.7270/Q2ZS2ZH9 | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| ALK tyrosine kinase receptor/Nucleophosmin (318/320 > 99%)† (Homo sapiens (Human)) | BDBM50306682 ((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lyon Curated by ChEMBL | Assay Description Inhibition of NPM/ALK (unknown origin) transfected in mouse BAF3 cells assessed as cell growth inhibition after 72 hrs by [3H]-thymidine incorporatio... | Bioorg Med Chem 22: 1303-12 (2014) Article DOI: 10.1016/j.bmc.2014.01.007 BindingDB Entry DOI: 10.7270/Q2NZ894Q | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| ALK tyrosine kinase receptor (318/320 > 99%)† (Homo sapiens (Human)) | BDBM50306682 ((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Inhibition of human wild type EML4-fused ALK expressed in mouse NIH-3T3 cells assessed as phosphorylated ALK level after 1 hr by sandwich ELISA | J Med Chem 57: 1170-87 (2014) Article DOI: 10.1021/jm401805h BindingDB Entry DOI: 10.7270/Q29C6ZX5 | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| ALK tyrosine kinase receptor (318/320 > 99%)† (Homo sapiens (Human)) | BDBM50306682 ((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Inhibition of wild type human EML4-fused ALK expressed in mouse NIH-3T3 cells assessed as phosphorylated ALK level after 1 hr by sandwich ELISA | J Med Chem 57: 4720-44 (2014) Article DOI: 10.1021/jm500261q BindingDB Entry DOI: 10.7270/Q2K35W68 | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| ALK tyrosine kinase receptor (318/320 > 99%)† (Homo sapiens (Human)) | BDBM50306682 ((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Medical University Curated by ChEMBL | Assay Description Inhibition of NPM-fused ALK phosphorylation (unknown origin) expressed in human karpas 299 cells after 90 mins by Sandwich-ELISA | ACS Med Chem Lett 4: 806-10 (2013) Article DOI: 10.1021/ml400203d BindingDB Entry DOI: 10.7270/Q2V1268J | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| Anaplastic lymphoma kinase C1156Y (ALK C1156Y) (319/320 > 99%)† (Homo sapiens (Human)) | BDBM179803 (3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(pi...) | PDB MMDB KEGG B.MOAD DrugBank GoogleScholar | Purchase PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 133 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Tianjin University of Science and Technology | Assay Description The ALK kinase activity of five target compounds and three positive compounds were evaluated using standard homogeneous time-resolved fluorescence (H... | Bioorg Chem 65: 146-58 (2016) Article DOI: 10.1016/j.bioorg.2016.02.009 BindingDB Entry DOI: 10.7270/Q2VT1QVX | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| ALK tyrosine kinase receptor (318/320 > 99%)† (Homo sapiens (Human)) | BDBM50306682 ((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 151 | n/a | n/a | n/a | n/a | n/a | n/a |
Genomics Institute of the Novartis Research Foundation Curated by ChEMBL | Assay Description Inhibition of NPM-fused ALK (unknown origin) expressed in mouse BAF3 cells after 2 to 3 days by luciferase reporter gene assay | J Med Chem 56: 5675-90 (2014) Article DOI: 10.1021/jm400402q BindingDB Entry DOI: 10.7270/Q2G1627J | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| ALK tyrosine kinase receptor (318/320 > 99%)† (Homo sapiens (Human)) | BDBM50306682 ((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 165 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Inhibition of human EML4-fused ALK F1174L mutant expressed in mouse NIH-3T3 cells assessed as phospho-ALK level after 1 hr by sandwich ELISA | J Med Chem 57: 4720-44 (2014) Article DOI: 10.1021/jm500261q BindingDB Entry DOI: 10.7270/Q2K35W68 | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| ALK tyrosine kinase receptor (L1196M) (317/320 > 99%)† (Homo sapiens (Human)) | BDBM50306682 ((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...) | PDB MMDB B.MOAD GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 188 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Tianjin University of Science and Technology | Assay Description The ALK kinase activity of five target compounds and three positive compounds were evaluated using standard homogeneous time-resolved fluorescence (H... | Bioorg Chem 65: 146-58 (2016) Article DOI: 10.1016/j.bioorg.2016.02.009 BindingDB Entry DOI: 10.7270/Q2VT1QVX | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| ALK tyrosine kinase receptor (318/320 > 99%)† (Homo sapiens (Human)) | BDBM50306682 ((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of ALK | ACS Med Chem Lett 2: 379-384 (2011) Article DOI: 10.1021/ml200002a BindingDB Entry DOI: 10.7270/Q2P55P0Q | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| ALK tyrosine kinase receptor (L1196M) (317/320 > 99%)† (Homo sapiens (Human)) | BDBM50306682 ((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...) | PDB MMDB B.MOAD GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB US Patent | n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | 25 |
KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY US Patent | Assay Description In order to measure the inhibitory activity against ALK, a Grainer 96-well round type bottom plate was added with the compounds (2 μl) prepared ... | US Patent US9199944 (2015) BindingDB Entry DOI: 10.7270/Q2J96558 | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| ALK tyrosine kinase receptor (L1196M) (317/320 > 99%)† (Homo sapiens (Human)) | BDBM179803 (3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(pi...) | PDB MMDB B.MOAD GoogleScholar | Purchase PC cid PC sid PDB UniChem Similars | PDB US Patent | n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY US Patent | US Patent US10053458 (2018) BindingDB Entry DOI: 10.7270/Q2ZS2ZH9 | ||||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| ALK tyrosine kinase receptor (L1196M) (317/320 > 99%)† (Homo sapiens (Human)) | BDBM179803 (3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(pi...) | PDB MMDB B.MOAD GoogleScholar | Purchase PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 337 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Tianjin University of Science and Technology | Assay Description The ALK kinase activity of five target compounds and three positive compounds were evaluated using standard homogeneous time-resolved fluorescence (H... | Bioorg Chem 65: 146-58 (2016) Article DOI: 10.1016/j.bioorg.2016.02.009 BindingDB Entry DOI: 10.7270/Q2VT1QVX | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| ALK tyrosine kinase receptor (318/320 > 99%)† (Homo sapiens (Human)) | BDBM50306682 ((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 478 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Inhibition of human EML4-fused ALK C1156Y mutant expressed in mouse NIH-3T3 cells assessed as phospho-ALK level after 1 hr by sandwich ELISA | J Med Chem 57: 4720-44 (2014) Article DOI: 10.1021/jm500261q BindingDB Entry DOI: 10.7270/Q2K35W68 | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| ALK tyrosine kinase receptor (318/320 > 99%)† (Homo sapiens (Human)) | BDBM50306682 ((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
St. Jude Children's Research Hospital Curated by ChEMBL | Assay Description Inhibition of 6xHis-tagged NPM-ALK using biotinylated-poly(GT) peptide as substrate after 60 mins | Bioorg Med Chem Lett 21: 4592-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.103 BindingDB Entry DOI: 10.7270/Q2N87B4V | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| ALK tyrosine kinase receptor (318/320 > 99%)† (Homo sapiens (Human)) | BDBM50306682 ((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 605 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Inhibition of human EML4-fused ALK G1269A mutant expressed in mouse NIH-3T3 cells assessed as phospho-ALK level after 1 hr by sandwich ELISA | J Med Chem 57: 4720-44 (2014) Article DOI: 10.1021/jm500261q BindingDB Entry DOI: 10.7270/Q2K35W68 | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| ALK tyrosine kinase receptor (318/320 > 99%)† (Homo sapiens (Human)) | BDBM50306682 ((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 626 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Inhibition of human EML4-fused ALK S1206Y mutant expressed in mouse NIH-3T3 cells assessed as phospho-ALK level after 1 hr by sandwich ELISA | J Med Chem 57: 4720-44 (2014) Article DOI: 10.1021/jm500261q BindingDB Entry DOI: 10.7270/Q2K35W68 | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| ALK tyrosine kinase receptor (318/320 > 99%)† (Homo sapiens (Human)) | BDBM50306682 ((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 843 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Inhibition of human EML4-fused ALK L1196M mutant expressed in mouse NIH-3T3 cells assessed as phospho-ALK level after 1 hr by sandwich ELISA | J Med Chem 57: 4720-44 (2014) Article DOI: 10.1021/jm500261q BindingDB Entry DOI: 10.7270/Q2K35W68 | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| ALK tyrosine kinase receptor (318/320 > 99%)† (Homo sapiens (Human)) | BDBM50306682 ((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 1.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Inhibition of human EML4-fused ALK L1152R mutant expressed in mouse NIH-3T3 cells assessed as phospho-ALK level after 1 hr by sandwich ELISA | J Med Chem 57: 4720-44 (2014) Article DOI: 10.1021/jm500261q BindingDB Entry DOI: 10.7270/Q2K35W68 | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| ALK tyrosine kinase receptor (318/320 > 99%)† (Homo sapiens (Human)) | BDBM50306682 ((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 1.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Inhibition of human EML4-fused ALK G1202R mutant expressed in mouse NIH-3T3 cells assessed as phospho-ALK level after 1 hr by sandwich ELISA | J Med Chem 57: 4720-44 (2014) Article DOI: 10.1021/jm500261q BindingDB Entry DOI: 10.7270/Q2K35W68 | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| ALK tyrosine kinase receptor (318/320 > 99%)† (Homo sapiens (Human)) | BDBM50306682 ((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Lyon Curated by ChEMBL | Assay Description Inhibition of recombinant wild type ALK catalytic domain (1064 to 1427) (unknown origin) expressed in baculovirus expression system using ARDIYRASFFR... | Bioorg Med Chem 22: 1303-12 (2014) Article DOI: 10.1016/j.bmc.2014.01.007 BindingDB Entry DOI: 10.7270/Q2NZ894Q | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| ALK tyrosine kinase receptor (318/320 > 99%)† (Homo sapiens (Human)) | BDBM50306682 ((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 3.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc. Curated by ChEMBL | Assay Description Inhibition of human EML4-fused ALK 1151Tins mutant expressed in mouse NIH-3T3 cells assessed as phospho-ALK level after 1 hr by sandwich ELISA | J Med Chem 57: 4720-44 (2014) Article DOI: 10.1021/jm500261q BindingDB Entry DOI: 10.7270/Q2K35W68 | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| ALK tyrosine kinase receptor (318/320 > 99%)† (Homo sapiens (Human)) | BDBM50306682 ((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | n/a | n/a | 2.04E+3 | n/a | n/a | n/a | n/a |
Universit£ de Lyon Curated by ChEMBL | Assay Description Competitive inhibition of recombinant wild type ALK catalytic domain (1064 to 1427) (unknown origin) expressed in baculovirus expression system using... | Bioorg Med Chem 22: 1303-12 (2014) Article DOI: 10.1016/j.bmc.2014.01.007 BindingDB Entry DOI: 10.7270/Q2NZ894Q | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| ALK tyrosine kinase receptor (318/320 > 99%)† (Homo sapiens (Human)) | BDBM50306682 ((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a |
The University of Sydney Curated by ChEMBL | Assay Description Binding affinity to ALK (unknown origin) | Nat Rev Drug Discov 16: 424-440 (2017) Article DOI: 10.1038/nrd.2016.266 BindingDB Entry DOI: 10.7270/Q2125VNC | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| ALK tyrosine kinase receptor (318/320 > 99%)† (Homo sapiens (Human)) | BDBM50306682 ((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences Curated by ChEMBL | Assay Description Binding constant for ALK kinase domain | Nat Biotechnol 29: 1046-51 (2011) Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70 | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| ALK tyrosine kinase receptor (318/320 > 99%)† (Homo sapiens (Human)) | BDBM50306682 ((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | n/a | n/a | 2.28E+4 | n/a | n/a | n/a | n/a |
Universit£ de Lyon Curated by ChEMBL | Assay Description Competitive inhibition of recombinant wild type ALK catalytic domain (1064 to 1427) (unknown origin) expressed in baculovirus expression system using... | Bioorg Med Chem 22: 1303-12 (2014) Article DOI: 10.1016/j.bmc.2014.01.007 BindingDB Entry DOI: 10.7270/Q2NZ894Q | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| ALK tyrosine kinase receptor (318/320 > 99%)† (Homo sapiens (Human)) | BDBM50306682 ((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | n/a | n/a | 575 | n/a | n/a | n/a | n/a |
Universit£ de Lyon Curated by ChEMBL | Assay Description Competitive inhibition of recombinant wild type ALK catalytic domain (1064 to 1427) (unknown origin) expressed in baculovirus expression system using... | Bioorg Med Chem 22: 1303-12 (2014) Article DOI: 10.1016/j.bmc.2014.01.007 BindingDB Entry DOI: 10.7270/Q2NZ894Q | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
| ALK tyrosine kinase receptor (318/320 > 99%)† (Homo sapiens (Human)) | BDBM50306682 ((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes Curated by ChEMBL | Assay Description Binding affinity to human ALK (1084 to 1410 residues) expressed in baculovirus infected Sf21 insect cells assessed as dissociation rate constant by s... | J Med Chem 59: 3906-19 (2016) Article DOI: 10.1021/acs.jmedchem.6b00106 BindingDB Entry DOI: 10.7270/Q2Z03B2G | |||||||||||
| More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
