Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM50111749'   

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))	BDBM50111749 (CHEMBL3605098) Show SMILES Nc1ncc(-c2ccc(cc2)N2CCOCC2)c2scc(-c3ccc(Oc4ccccc4)cc3)c12 Show InChI InChI=1S/C23H29F3N4O8S/c24-23(25,26)39-12-3-1-11(2-4-12)9-28-10-16(38-21-19(34)18(33)15(8-27)37-21)14-7-13(31)20(36-14)30-6-5-17(32)29-22(30)35/h1-6,13-16,18-21,28,31,33-34H,7-10,27H2,(H,29,32,35)/t13-,14+,15-,16+,18-,19-,20-,21+/m1/s1	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	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human recombinant BTK incubated for 5 mins by HTRF kinase assay				Bioorg Med Chem 23: 6059-68 (2015) Article DOI: 10.1016/j.bmc.2015.05.043 BindingDB Entry DOI: 10.7270/Q2445P7J
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