Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor' and Ligand = 'BDBM448442'   

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))	BDBM448442 (US10695347, Compound I-8) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccsc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCOCC1 Show InChI InChI=1S/C27H35ClN6O4S2/c1-18(2)40(35,36)26-23(8-15-39-26)30-25-21(28)17-29-27(32-25)31-22-5-4-20(16-24(22)37-3)33-9-6-19(7-10-33)34-11-13-38-14-12-34/h4-5,8,15-19H,6-7,9-14H2,1-3H3,(H2,29,30,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE, INC. US Patent					Assay Description 1× Kinase Buffer 50 mM HEPES. pH 7.5 0.0015% Brij-35 10 mM MgCl2 2 mM DTT 2) stop buffer 100 mM HEPES, pH 7...				US Patent US10695347 (2020) BindingDB Entry DOI: 10.7270/Q2M90CQ8
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