Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM50020442'   

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))	BDBM50020442 (CHEMBL3290118) Show SMILES Cc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1C(=O)Nc1cnc(Nc2ccccc2)nc1 Show InChI InChI=1S/C26H20F3N5O2/c1-16-10-11-20(32-23(35)17-6-5-7-18(12-17)26(27,28)29)13-22(16)24(36)33-21-14-30-25(31-15-21)34-19-8-3-2-4-9-19/h2-15H,1H3,(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	133	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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