Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM50111759'   

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))	BDBM50111759 (CHEMBL3605106) Show SMILES COCCCn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C26H24N4O2S/c1-31-13-5-12-30-16-19(14-29-30)22-15-28-26(27)24-23(17-33-25(22)24)18-8-10-21(11-9-18)32-20-6-3-2-4-7-20/h2-4,6-11,14-17H,5,12-13H2,1H3,(H2,27,28)	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	280	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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