Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK2' and Ligand = 'BDBM502821'   

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))	BDBM502821 (US11028093, Example 118 | trans-4-(4-(4-(1-(pentan...) Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)[C@H]1CC[C@H](O)CC1 |r,wU:24.27,wD:27.31,(-1.81,6.37,;-2.71,5.12,;-2.09,3.72,;-.56,3.56,;.35,4.8,;-2.99,2.47,;-2.52,1.01,;-3.76,.1,;-5.01,1.01,;-4.53,2.47,;-3.76,-1.44,;-2.43,-2.21,;-2.43,-3.75,;-3.76,-4.52,;-5.1,-3.75,;-6.56,-4.22,;-7.47,-2.98,;-6.56,-1.73,;-5.1,-2.21,;-1.1,-4.52,;-.94,-6.05,;.57,-6.37,;1.34,-5.04,;.31,-3.89,;2.87,-4.88,;3.5,-3.47,;5.03,-3.31,;5.94,-4.55,;7.47,-4.39,;5.31,-5.96,;3.78,-6.12,)| Show InChI InChI=1S/C23H29N7O/c1-3-18(4-2)28-14-17(12-26-28)23-22-9-10-24-30(22)15-21(27-23)16-11-25-29(13-16)19-5-7-20(31)8-6-19/h9-15,18-20,31H,3-8H2,1-2H3/t19-,20-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
ARRAY BIOPHARMA INC.; CELGENE CORPORATION US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit JAK2 using the general enzyme inhibition assay method, in which the assay mixture c...				US Patent US11028093 (2021) BindingDB Entry DOI: 10.7270/Q2T156RN
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