Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor' and Ligand = 'BDBM291987'   

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))	BDBM291987 (US10100019, Example 57) Show SMILES COc1cc(c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(C)(C)N Show InChI InChI=1S/C24H30ClN5O3S/c1-14(2)34(31,32)21-10-8-7-9-18(21)28-22-17(25)13-27-23(30-22)29-19-11-15(3)16(24(4,5)26)12-20(19)33-6/h7-14H,26H2,1-6H3,(H2,27,28,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	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) using peptide as substrate measured after 30 mins by fluorescence assay				Eur J Med Chem 126: 536-549 (2017) Article DOI: 10.1016/j.ejmech.2016.11.046 BindingDB Entry DOI: 10.7270/Q2ZW1P4Q
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ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM291987 (US10100019, Example 57) Show SMILES COc1cc(c(C)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(C)(C)N Show InChI InChI=1S/C24H30ClN5O3S/c1-14(2)34(31,32)21-10-8-7-9-18(21)28-22-17(25)13-27-23(30-22)29-19-11-15(3)16(24(4,5)26)12-20(19)33-6/h7-14H,26H2,1-6H3,(H2,27,28,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	25
Korea Research Institute of Chemical Technology US Patent					Assay Description The following experiment was performed in order to measure the activity of the N2-(2-methoxyphenyl)pyrimidine derivative represented by formula 1 of ...				US Patent US10100019 (2018) BindingDB Entry DOI: 10.7270/Q2125VPT
					More data for this Ligand-Target Pair