Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor' and Ligand = 'BDBM243381'   

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))	BDBM243381 (1-(6-(5-chloro-4-(2-(isopropylsulfonyl)phenylamino...) Show SMILES COc1cc2CN(CC3(CCCC3)c2cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)C(=O)C(F)(F)F Show InChI InChI=1S/C29H31ClF3N5O4S/c1-17(2)43(40,41)24-9-5-4-8-21(24)35-25-20(30)14-34-27(37-25)36-22-13-19-18(12-23(22)42-3)15-38(26(39)29(31,32)33)16-28(19)10-6-7-11-28/h4-5,8-9,12-14,17H,6-7,10-11,15-16H2,1-3H3,(H2,34,35,36,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	25
KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY US Patent					Assay Description A proliferation inhibitory activity against the ALK of the compound represented by Chemical Formula 1 according to the present invention at an enzyme...				US Patent US10053458 (2018) BindingDB Entry DOI: 10.7270/Q2ZS2ZH9
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