Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM237911'   

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))	BDBM237911 (US9394282, 13-5 | US9394282, 14-2) Show SMILES C[C@@]1(CS(=O)(=O)CC1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1)C#N |r| Show InChI InChI=1S/C16H16FN5O3S/c1-16(8-18)9-26(24,25)7-13(16)22-6-12(14(19)23)15(21-22)20-11-4-2-10(17)3-5-11/h2-6,13H,7,9H2,1H3,(H2,19,23)(H,20,21)/t13?,16-/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	0.5	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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