Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM237831'   

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))	BDBM237831 (US9394282, 6-18) Show SMILES Cc1ncc(CN2CC[C@@H](C#N)[C@@H](C2)n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)s1 |r| Show InChI InChI=1S/C21H22FN7OS/c1-13-25-9-17(31-13)10-28-7-6-14(8-23)19(12-28)29-11-18(20(24)30)21(27-29)26-16-4-2-15(22)3-5-16/h2-5,9,11,14,19H,6-7,10,12H2,1H3,(H2,24,30)(H,26,27)/t14-,19+/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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