Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM362401'   

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))	BDBM362401 (US9834554, Example 28) Show SMILES COc1ccnc(NC(=O)c2ccc(cc2)-n2nc([C@@H]3CCCN(C3)C(=O)C3(C)COC3)c3ccnc(N)c23)c1 |r| Show InChI InChI=1S/C29H31N7O4/c1-29(16-40-17-29)28(38)35-13-3-4-19(15-35)24-22-10-12-32-26(30)25(22)36(34-24)20-7-5-18(6-8-20)27(37)33-23-14-21(39-2)9-11-31-23/h5-12,14,19H,3-4,13,15-17H2,1-2H3,(H2,30,32)(H,31,33,37)/t19-/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	0.490	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 US9834554 (2017) BindingDB Entry DOI: 10.7270/Q2K64MCV
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