BindingDB PrimarySearch

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

Data: 7 IC50

PDB links: 11 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 179803
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	k_off s^-1	k_on 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...) Show SMILES Show InChI	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
Tianjin University of Science and Technology					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...) Show SMILES Show InChI	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
Tianjin University of Science and Technology					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...) Show SMILES Show InChI	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
Tianjin University of Science and Technology					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...) Show SMILES Show InChI	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...) Show SMILES Show InChI	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
Korea Research Institute of Chemical Technology US Patent					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...) Show SMILES Show InChI	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
Korea Research Institute of Chemical Technology US Patent					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...) Show SMILES Show InChI	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
Tianjin University of Science and Technology					More data for this Ligand-Target Pair				3D Structure (crystal)