Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM50020488'   

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))	BDBM50020488 (CHEMBL3290146) Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(Nc2cccc(NC(=O)Cn3sc4ccccc4c3=O)c2)nc1 Show InChI InChI=1S/C35H26F3N7O4S/c1-20-12-13-25(42-31(47)21-6-4-7-22(14-21)35(36,37)38)16-28(20)32(48)43-26-17-39-34(40-18-26)44-24-9-5-8-23(15-24)41-30(46)19-45-33(49)27-10-2-3-11-29(27)50-45/h2-18H,19H2,1H3,(H,41,46)(H,42,47)(H,43,48)(H,39,40,44)	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	18	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of Btk (unknown origin) after 1 hr by HTRF assay				J Med Chem 57: 5112-28 (2014) Article DOI: 10.1021/jm4017762 BindingDB Entry DOI: 10.7270/Q2NK3GKX
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