Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM50020453'   

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))	BDBM50020453 (CHEMBL3290129) Show SMILES Nc1cccc(Nc2ncc(NC(=O)c3cccc(NC(=O)c4cccc(c4)C(F)(F)F)c3)cn2)c1 Show InChI InChI=1S/C25H19F3N6O2/c26-25(27,28)17-6-1-4-15(10-17)22(35)32-19-8-2-5-16(11-19)23(36)33-21-13-30-24(31-14-21)34-20-9-3-7-18(29)12-20/h1-14H,29H2,(H,32,35)(H,33,36)(H,30,31,34)	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	233	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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