Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor [L1196M]' and Ligand = 'BDBM448455'   

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 [L1196M] (Homo sapiens (Human))	BDBM448455 (US10695347, Compound I-82) Show SMILES CC(C)Oc1cc(ccc1Nc1ncc(Cl)c(Nc2ccsc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N(C)C Show InChI InChI=1S/C27H37ClN6O3S2/c1-17(2)37-24-15-20(34-12-9-19(10-13-34)33(5)6)7-8-22(24)31-27-29-16-21(28)25(32-27)30-23-11-14-38-26(23)39(35,36)18(3)4/h7-8,11,14-19H,9-10,12-13H2,1-6H3,(H2,29,30,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD 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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