Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM50111751'   

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))	BDBM50111751 (CHEMBL3605096) Show SMILES Nc1ncc(-c2ccccc2)c2scc(-c3ccc(Oc4ccccc4)cc3)c12 Show InChI InChI=1S/C29H36N4O9/c30-15-22-25(36)26(37)28(41-22)42-23(21-14-20(34)27(40-21)33-13-11-24(35)32-29(33)38)16-31-12-10-17-6-8-19(9-7-17)39-18-4-2-1-3-5-18/h1-9,11,13,20-23,25-28,31,34,36-37H,10,12,14-16,30H2,(H,32,35,38)/t20-,21+,22-,23+,25-,26-,27-,28+/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	>1.00E+4	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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