Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM255358'   

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))	BDBM255358 (US9481682, 108) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CN(CC(O)=O)CC(=O)N2C1 |r| Show InChI InChI=1S/C29H27F3N8O4/c30-29(31,32)19-7-8-34-21(11-19)36-28(44)17-3-1-16(2-4-17)24-25-26(33)35-9-10-39(25)27(37-24)18-5-6-20-13-38(15-23(42)43)14-22(41)40(20)12-18/h1-4,7-11,18,20H,5-6,12-15H2,(H2,33,35)(H,42,43)(H,34,36,44)/t18-,20+/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	0.220	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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