BDBM179803 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]pyridin-2-amine (11a)::US10053458, Comparative Example 1
SMILES: CC(Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl
InChI Key: InChIKey=KTEIFNKAUNYNJU-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Tyrosine kinase receptor c-Met (c-Met) (Homo sapiens (Human)) | BDBM179803![]() (3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(pi...) | PDB UniProtKB/TrEMBL GoogleScholar | Purchase PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 14.6 | n/a | n/a | n/a | n/a | 7.0 | 25 |
Tianjin University of Science and Technology | Assay Description The c-Met kinase activity of five target compounds and three positive compounds were evaluated using standard Z-LYTE Assays (fluorescence resonance e... | 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 (Homo sapiens (Human)) | BDBM179803![]() (3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(pi...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia 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) | ||||||||||||
Anaplastic lymphoma kinase C1156Y (ALK C1156Y) (Homo sapiens (Human)) | BDBM179803![]() (3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(pi...) | PDB MMDB KEGG 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) | ||||||||||||
Tyrosine-protein kinase JAK2 (Homo sapiens (Human)) | BDBM179803![]() (3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(pi...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar | Purchase PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 92 | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science & Technology Curated by ChEMBL | Assay Description Inhibition of human recombinant N-terminal hexahistidine tagged JAK2 JH1 catalytic domain (835 to 1132 residues) expressed in baculovirus infected Sf... | Bioorg Med Chem Lett 29: 1507-1513 (2019) Article DOI: 10.1016/j.bmcl.2019.04.011 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
ALK tyrosine kinase receptor (Homo sapiens (Human)) | BDBM179803![]() (3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(pi...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia 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 (L1196M) (Homo sapiens (Human)) | BDBM179803![]() (3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(pi...) | PDB MMDB UniProtKB/TrEMBL 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) (Homo sapiens (Human)) | BDBM179803![]() (3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(pi...) | PDB MMDB UniProtKB/TrEMBL 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) |