Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM237790'   

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))	BDBM237790 (US9394282, 5-69) Show SMILES CC(C)(COC(=O)N1CC[C@@H](C#N)[C@@H](C1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1)C#N |r| Show InChI InChI=1S/C22H24FN7O3/c1-22(2,12-25)13-33-21(32)29-8-7-14(9-24)18(11-29)30-10-17(19(26)31)20(28-30)27-16-5-3-15(23)4-6-16/h3-6,10,14,18H,7-8,11,13H2,1-2H3,(H2,26,31)(H,27,28)/t14-,18+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				US Patent US9394282 (2016) BindingDB Entry DOI: 10.7270/Q2J10233
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