Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM255454'   

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))	BDBM255454 (US9481682, 205) Show SMILES CCOc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(C)cnc(N)c12)C(=O)Nc1cc(n(C)n1)C(F)(F)F |r| Show InChI InChI=1S/C29H31F3N8O3/c1-4-43-20-11-16(28(42)35-22-12-21(29(30,31)32)38(3)37-22)6-9-19(20)24-25-26(33)34-13-15(2)40(25)27(36-24)17-5-7-18-8-10-23(41)39(18)14-17/h6,9,11-13,17-18H,4-5,7-8,10,14H2,1-3H3,(H2,33,34)(H,35,37,42)/t17-,18+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description BTK enzymatic activity was determined with the LANCE (Lanthanide Chelate Excite) TR-FRET (Time-resolved fluorescence resonance energy transfer) assay...				US Patent US9481682 (2016) BindingDB Entry DOI: 10.7270/Q2959GGM
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