Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM50245646'   

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))	BDBM50245646 (CHEMBL4066966) Show SMILES COC1CCN(CC1)C(=O)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(NC(=O)c3ccc(cc3)C(C)(C)C)c2C)cc1NC(=O)C=C Show InChI InChI=1S/C40H45N5O5/c1-8-36(46)42-34-23-29(16-17-32(34)38(48)45-20-18-30(50-7)19-21-45)41-35-22-27(24-44(6)39(35)49)31-10-9-11-33(25(31)2)43-37(47)26-12-14-28(15-13-26)40(3,4)5/h8-17,22-24,30,41H,1,18-21H2,2-7H3,(H,42,46)(H,43,47)	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	65	n/a	n/a	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal His tagged BKT expressed in baculovirus infected Sf9 insect cells using poly (Glu,Tyr)4:1 as s...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
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