Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM237812'   

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))	BDBM237812 (US9394282, 5-91) Show SMILES NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CN(CC[C@H]1C#N)C(=O)OCCC1CC1 |r| Show InChI InChI=1S/C22H25FN6O3/c23-16-3-5-17(6-4-16)26-21-18(20(25)30)12-29(27-21)19-13-28(9-7-15(19)11-24)22(31)32-10-8-14-1-2-14/h3-6,12,14-15,19H,1-2,7-10,13H2,(H2,25,30)(H,26,27)/t15-,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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