Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM50123466'   

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))	BDBM50123466 (CHEMBL3621500) Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3ccc(NC(C)=O)cc3)c21)C(N)=O Show InChI InChI=1S/C27H27N5O3/c1-16(33)29-19-6-3-17(4-7-19)20-9-10-22(26(28)34)25-24(20)21-8-5-18(15-23(21)30-25)27(35)32-13-11-31(2)12-14-32/h3-10,15,30H,11-14H2,1-2H3,(H2,28,34)(H,29,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	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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