Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM50123549'   

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))	BDBM50123549 (CHEMBL3621516) Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3ccc(F)cc3F)c21)C(N)=O Show InChI InChI=1S/C25H22F2N4O2/c1-30-8-10-31(11-9-30)25(33)14-2-4-18-21(12-14)29-23-19(24(28)32)7-6-17(22(18)23)16-5-3-15(26)13-20(16)27/h2-7,12-13,29H,8-11H2,1H3,(H2,28,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant BTK				Bioorg Med Chem Lett 25: 4265-9 (2015) Article DOI: 10.1016/j.bmcl.2015.07.102 BindingDB Entry DOI: 10.7270/Q2251M17
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