Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM50039981'   

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
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50039981 (CHEMBL3358344) Show SMILES CCN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(c2CO)-n2ncc3cc(ccc3c2=O)C(C)(C)C)nc1 Show InChI InChI=1S/C36H41N7O3/c1-6-41-14-16-42(17-15-41)27-11-13-33(37-21-27)39-31-19-25(22-40(5)35(31)46)28-8-7-9-32(30(28)23-44)43-34(45)29-12-10-26(36(2,3)4)18-24(29)20-38-43/h7-13,18-22,44H,6,14-17,23H2,1-5H3,(H,37,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. Curated by ChEMBL					Assay Description Inhibition of BTK in human whole blood assessed as decrease in CD69 positive cells				Bioorg Med Chem Lett 25: 367-71 (2014) Article DOI: 10.1016/j.bmcl.2014.11.030 BindingDB Entry DOI: 10.7270/Q2BZ67N2
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