Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM50175521'   

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))	BDBM50175521 (CHEMBL3808573) Show SMILES Nc1ncnc(NC2CCN(CC2)C(=O)C=C)c1C(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C25H25N5O3/c1-2-21(31)30-14-12-18(13-15-30)29-25-22(24(26)27-16-28-25)23(32)17-8-10-20(11-9-17)33-19-6-4-3-5-7-19/h2-11,16,18H,1,12-15H2,(H3,26,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of BTK (unknown origin) assessed as reduction in phosphorylation of coumarin and fluorescein-labeled FRET peptide substrate incubated for ...				Bioorg Med Chem Lett 26: 3052-9 (2016) Article DOI: 10.1016/j.bmcl.2016.05.014 BindingDB Entry DOI: 10.7270/Q2VT1V1T
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