Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor [L1196M]' and Ligand = 'BDBM448473'   

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))	BDBM448473 (US10695347, Compound I-111) Show SMILES COc1cc(ccc1Nc1ncc(OC(F)F)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N(C)C Show InChI InChI=1S/C28H36F2N6O4S/c1-18(2)41(37,38)25-9-7-6-8-22(25)32-26-24(40-27(29)30)17-31-28(34-26)33-21-11-10-20(16-23(21)39-5)36-14-12-19(13-15-36)35(3)4/h6-11,16-19,27H,12-15H2,1-5H3,(H2,31,32,33,34)	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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