Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK2' and Ligand = 'BDBM292125'   

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 JAK2 (Homo sapiens (Human))	BDBM292125 (US10100049, Example 3-30) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCNC3CC(C3)OC)CCc2[nH]1 |(-9.45,-2.63,;-8.11,-1.86,;-8.11,-.32,;-9.45,.45,;-9.45,1.99,;-10.78,2.76,;-8.11,2.76,;-8.11,4.3,;-6.78,1.99,;-6.78,.45,;-5.44,-.32,;-4.11,.45,;-2.78,-.32,;-2.78,-1.86,;-1.63,-2.89,;-2.26,-4.3,;-3.79,-4.14,;-4.11,-2.63,;-5.44,-1.86,;-.15,-2.49,;.76,-1.25,;2.22,-1.72,;3.56,-.95,;4.89,-1.72,;6.23,-.95,;7.56,-1.72,;8.89,-.95,;8.89,.59,;8.12,1.92,;9.03,3.17,;9.8,1.83,;9.11,4.7,;7.82,5.54,;4.89,-3.26,;3.56,-4.03,;2.22,-3.26,;.76,-3.74,)| Show InChI InChI=1S/C28H33FN6O2/c1-3-16-11-26(36)22(29)14-21(16)17-4-5-20-24(10-17)33-34-27(20)28-31-23-6-8-35(15-25(23)32-28)9-7-30-18-12-19(13-18)37-2/h4-5,10-11,14,18-19,30,36H,3,6-9,12-13,15H2,1-2H3,(H,31,32)(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
THERAVANCE BIOPHARMA R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAKL 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% ...				US Patent US10100049 (2018) BindingDB Entry DOI: 10.7270/Q27M09Z8
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