Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM659011'   

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 JAK1 (Homo sapiens (Human))	BDBM659011 (US20240092758, Example 128) Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc(c[nH]1)C1=CCN(C1)[C@H]1CC[C@H](O)CC1 |r,wU:28.32,wD:31.36,t:27,(-1.66,.04,;-3,.81,;-4.33,.04,;-5.66,.81,;-7,.04,;-8.33,.81,;-7,-1.5,;-5.66,-2.27,;-4.33,-1.5,;-3,-2.27,;-1.66,-1.5,;-.33,-2.27,;-.33,-3.81,;.81,-4.84,;.19,-6.25,;-1.34,-6.09,;-1.66,-4.58,;-3,-3.81,;2.32,-4.52,;2.95,-3.12,;4.48,-3.28,;4.8,-4.78,;3.47,-5.55,;5.51,-2.13,;7.04,-2.29,;7.67,-.89,;6.52,.14,;5.19,-.63,;6.68,1.68,;5.47,2.63,;5.69,4.15,;7.12,4.72,;7.34,6.25,;8.33,3.77,;8.11,2.25,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		<0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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