Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM50111747'   

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))	BDBM50111747 (CHEMBL3605093) Show SMILES COc1ccc2cc(ccc2c1)-c1cnc(N)c2c(csc12)-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C24H34N4O8/c1-13-2-4-14(5-3-13)6-8-26-12-18(36-23-21(32)20(31)17(11-25)35-23)16-10-15(29)22(34-16)28-9-7-19(30)27-24(28)33/h2-5,7,9,15-18,20-23,26,29,31-32H,6,8,10-12,25H2,1H3,(H,27,30,33)/t15-,16+,17-,18+,20-,21-,22-,23+/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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