Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM229449'   

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))	BDBM229449 (US9328099, 40-81) Show SMILES COC1CN(C1)C1CCC(CC#N)(CC1)n1cc(C(N)=O)c(Nc2ccnc(F)c2)n1 |(7.8,2.49,;7.03,1.16,;5.49,1.16,;4.4,.07,;3.31,1.16,;4.4,2.25,;1.77,1.16,;1,2.49,;-.54,2.49,;-1.31,1.16,;-2.08,2.49,;-1.31,3.83,;-.54,5.16,;-.54,-.17,;1,-.17,;-2.85,1.16,;-3.76,2.41,;-5.22,1.93,;-6.31,3.02,;-7.8,2.62,;-5.91,4.51,;-5.22,.39,;-6.31,-.7,;-5.91,-2.19,;-7,-3.28,;-6.6,-4.76,;-5.11,-5.16,;-4.02,-4.07,;-2.54,-4.47,;-4.42,-2.58,;-3.76,-.09,)| Show InChI InChI=1S/C21H26FN7O2/c1-31-16-11-28(12-16)15-2-5-21(6-3-15,7-8-23)29-13-17(19(24)30)20(27-29)26-14-4-9-25-18(22)10-14/h4,9-10,13,15-16H,2-3,5-7,11-12H2,1H3,(H2,24,30)(H,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...				US Patent US9328099 (2016) BindingDB Entry DOI: 10.7270/Q2M61J42
					More data for this Ligand-Target Pair