Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM111589'   

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))	BDBM111589 (US8618098, III-1 | US8822457, III-1) Show SMILES CN(C)c1ccc2c(cnn(-c3cccc(-c4cc(Nc5ccc(cn5)C(=O)N5CCOCC5)c(=O)n(C)c4)c3C)c2=O)c1 Show InChI InChI=1S/C33H33N7O4/c1-21-26(6-5-7-29(21)40-32(42)27-10-9-25(37(2)3)16-23(27)19-35-40)24-17-28(33(43)38(4)20-24)36-30-11-8-22(18-34-30)31(41)39-12-14-44-15-13-39/h5-11,16-20H,12-15H2,1-4H3,(H,34,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	124	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC US Patent					Assay Description The assay is a capture of radioactive 33P phosphorylated product through filtration. The interactions of Btk, biotinylated SH2 peptide substrate (Src...				US Patent US8618098 (2013) BindingDB Entry DOI: 10.7270/Q2V69H8N
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