BindingDB PrimarySearch

BDBM50362781 1256580-46-7::AF802::Alecensa::Alectinib::CH5424802::CHEMBL1738797::US9126931, 366

SMILES: CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N1CCC(CC1)N1CCOCC1

InChI Key: InChIKey=KDGFLJKFZUIJMX-UHFFFAOYSA-N

Data: 3 KI 11 IC50

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50362781
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50362781 (1256580-46-7 \| AF802 \| Alecensa \| Alectinib \| CH54...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Seiyaku Kabushiki Kaisha US Patent					Assay Description ALK-inhibiting activity was measured by following an activity of inhibiting phosphorylation by biotinylated peptide (EGPWLEEEEEAYGWMDF). For the dete...				US Patent US9126931 (2015) BindingDB Entry DOI: 10.7270/Q22J69N8
Chugai Seiyaku Kabushiki Kaisha US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase receptor Ret (Homo sapiens (Human))	BDBM50362781 (1256580-46-7 \| AF802 \| Alecensa \| Alectinib \| CH54...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of wild type recombinant human RET using Biotin-EGPWLEEEEEAYGWMDF as substrate incubated for 60 mins by TR-FRET assay				Eur J Med Chem 118: 244-9 (2016) Article DOI: 10.1016/j.ejmech.2016.04.046 BindingDB Entry DOI: 10.7270/Q2Q81G02
Chinese Academy of Sciences Curated by ChEMBL					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50362781 (1256580-46-7 \| AF802 \| Alecensa \| Alectinib \| CH54...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of ALK expressed in human NCI-H3122 cells assessed as cell growth inhibition after 72 hrs by SRB/CCK-8 assay				Eur J Med Chem 118: 244-9 (2016) Article DOI: 10.1016/j.ejmech.2016.04.046 BindingDB Entry DOI: 10.7270/Q2Q81G02
Chinese Academy of Sciences Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Hepatocyte growth factor receptor (Homo sapiens (Human))	BDBM50362781 (1256580-46-7 \| AF802 \| Alecensa \| Alectinib \| CH54...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibition of MET using Bio-HER2tide as substrate by TR-FRET assay in presence of 50 uM of ATP				Bioorg Med Chem 20: 1271-80 (2012) Article DOI: 10.1016/j.bmc.2011.12.021 BindingDB Entry DOI: 10.7270/Q23B60KW
Chugai Pharmaceutical Co. Ltd Curated by ChEMBL					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50362781 (1256580-46-7 \| AF802 \| Alecensa \| Alectinib \| CH54...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibition of KIT using Bio-HER2tide as substrate by TR-FRET assay in presence of 50 uM of ATP				Bioorg Med Chem 20: 1271-80 (2012) Article DOI: 10.1016/j.bmc.2011.12.021 BindingDB Entry DOI: 10.7270/Q23B60KW
Chugai Pharmaceutical Co. Ltd Curated by ChEMBL					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50362781 (1256580-46-7 \| AF802 \| Alecensa \| Alectinib \| CH54...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibition of KDR using Bio-Gastrintide as substrate by TR-FRET assay in presence of 50 uM of ATP				Bioorg Med Chem 20: 1271-80 (2012) Article DOI: 10.1016/j.bmc.2011.12.021 BindingDB Entry DOI: 10.7270/Q23B60KW
Chugai Pharmaceutical Co. Ltd Curated by ChEMBL					More data for this Ligand-Target Pair
EML4-ALK (Homo sapiens (Human))	BDBM50362781 (1256580-46-7 \| AF802 \| Alecensa \| Alectinib \| CH54...) Show SMILES Show InChI	PDB KEGG GoogleScholar	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Dana-Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of wild type EML4-ALK (unknown origin) expressed in mouse Ba/F3 cells assessed as cell viability after 72 hrs by MTS assay				J Med Chem 58: 9296-9308 (2015)
Dana-Farber Cancer Institute Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50362781 (1256580-46-7 \| AF802 \| Alecensa \| Alectinib \| CH54...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ocean University of China Curated by ChEMBL					Assay Description Inhibition of human ERG				Bioorg Med Chem Lett 26: 5399-5402 (2016) Article DOI: 10.1016/j.bmcl.2016.10.039 BindingDB Entry DOI: 10.7270/Q22809JW
Ocean University of China Curated by ChEMBL					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS (Homo sapiens (Human))	BDBM50362781 (1256580-46-7 \| AF802 \| Alecensa \| Alectinib \| CH54...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Taibah University Curated by ChEMBL					Assay Description Inhibition of ROS1 L2026M mutant (unknown origin)				Eur J Med Chem 134: 348-356 (2017)
Taibah University Curated by ChEMBL					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS (Homo sapiens (Human))	BDBM50362781 (1256580-46-7 \| AF802 \| Alecensa \| Alectinib \| CH54...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PubMed	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Taibah University Curated by ChEMBL					Assay Description Inhibition of ROS1 G2032R mutant (unknown origin)				Eur J Med Chem 134: 348-356 (2017)
Taibah University Curated by ChEMBL					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS (Homo sapiens (Human))	BDBM50362781 (1256580-46-7 \| AF802 \| Alecensa \| Alectinib \| CH54...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Taibah University Curated by ChEMBL					Assay Description Inhibition of wild type ROS1 (unknown origin)				Eur J Med Chem 134: 348-356 (2017)
Taibah University Curated by ChEMBL					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50362781 (1256580-46-7 \| AF802 \| Alecensa \| Alectinib \| CH54...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of gatekeeper ALK L1196M mutant (unknown origin) using poly (Glu, Tyr)4:1 substrate incubated for 60 mins by ELISA				Eur J Med Chem 105: 39-56 (2015)
Chinese Academy of Sciences Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50362781 (1256580-46-7 \| AF802 \| Alecensa \| Alectinib \| CH54...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant ALK (unknown origin) using poly (Glu, Tyr)4:1 substrate incubated for 60 mins by ELISA				Eur J Med Chem 105: 39-56 (2015)
Chinese Academy of Sciences Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50362781 (1256580-46-7 \| AF802 \| Alecensa \| Alectinib \| CH54...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibition of ALK using Bio-Gastrintide as substrate by TR-FRET assay in presence of 30 uM of ATP				Bioorg Med Chem 20: 1271-80 (2012) Article DOI: 10.1016/j.bmc.2011.12.021 BindingDB Entry DOI: 10.7270/Q23B60KW
Chugai Pharmaceutical Co. Ltd Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)