Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM50123541'   

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))	BDBM50123541 (CHEMBL3621507) Show SMILES CN1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c1c(ccc(-c3ccc(cc3)C(C)(C)C)c21)C(N)=O Show InChI InChI=1S/C29H32N4O2/c1-29(2,3)20-8-5-18(6-9-20)21-11-12-23(27(30)34)26-25(21)22-10-7-19(17-24(22)31-26)28(35)33-15-13-32(4)14-16-33/h5-12,17,31H,13-16H2,1-4H3,(H2,30,34)	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	103	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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