Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor' and Ligand = 'BDBM50116692'   

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))	BDBM50116692 (CHEMBL3608530 | US10053458, 59) Show SMILES COc1cc2CCCN(Cc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(C)=O Show InChI InChI=1S/C26H30ClN5O4S/c1-16(2)37(34,35)24-10-6-5-9-21(24)29-25-20(27)14-28-26(31-25)30-22-12-19-15-32(17(3)33)11-7-8-18(19)13-23(22)36-4/h5-6,9-10,12-14,16H,7-8,11,15H2,1-4H3,(H2,28,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	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
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50116692 (CHEMBL3608530 | US10053458, 59) Show SMILES COc1cc2CCCN(Cc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(C)=O Show InChI InChI=1S/C26H30ClN5O4S/c1-16(2)37(34,35)24-10-6-5-9-21(24)29-25-20(27)14-28-26(31-25)30-22-12-19-15-32(17(3)33)11-7-8-18(19)13-23(22)36-4/h5-6,9-10,12-14,16H,7-8,11,15H2,1-4H3,(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	800	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of wild type ALK (unknown origin) by homogeneous time resolved fluorescence assay				Bioorg Med Chem Lett 25: 3992-8 (2015) Article DOI: 10.1016/j.bmcl.2015.07.004 BindingDB Entry DOI: 10.7270/Q2RF5WTB
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50116692 (CHEMBL3608530 | US10053458, 59) Show SMILES COc1cc2CCCN(Cc2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(C)=O Show InChI InChI=1S/C26H30ClN5O4S/c1-16(2)37(34,35)24-10-6-5-9-21(24)29-25-20(27)14-28-26(31-25)30-22-12-19-15-32(17(3)33)11-7-8-18(19)13-23(22)36-4/h5-6,9-10,12-14,16H,7-8,11,15H2,1-4H3,(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	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of ALK L1196M mutant (unknown origin) by homogeneous time resolved fluorescence assay				Bioorg Med Chem Lett 25: 3992-8 (2015) Article DOI: 10.1016/j.bmcl.2015.07.004 BindingDB Entry DOI: 10.7270/Q2RF5WTB
					More data for this Ligand-Target Pair