Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor [L1196M]' and Ligand = 'BDBM448439'   

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))	BDBM448439 (US10695347, Compound I-5) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2cccnc2S(=O)(=O)C(C)C)n1)N1CCN(C)CC1 Show InChI InChI=1S/C24H30ClN7O3S/c1-16(2)36(33,34)23-20(6-5-9-26-23)28-22-18(25)15-27-24(30-22)29-19-8-7-17(14-21(19)35-4)32-12-10-31(3)11-13-32/h5-9,14-16H,10-13H2,1-4H3,(H2,27,28,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	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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