Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM366677'   

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))	BDBM366677 (US9873709, Example 1-274 | [4-[[8-[4-(4- chlorophe...) Show SMILES CN1CCCC11CC(C1)C(=O)c1ccc(Nc2nc3c(cccn3n2)N2CCC(CO)(CC2)c2ccc(Cl)cc2)cc1 |(-8.37,3.53,;-7.6,4.86,;-8.5,6.1,;-7.6,7.35,;-6.13,6.87,;-6.13,5.33,;-4.65,5.73,;-4.25,4.25,;-5.73,3.85,;-2.91,3.48,;-2.91,1.94,;-1.58,4.25,;-.25,3.48,;1.09,4.25,;1.09,5.79,;2.42,6.56,;3.76,5.79,;3.92,4.25,;5.42,3.93,;6.19,2.6,;7.73,2.6,;8.5,3.93,;7.73,5.27,;6.19,5.27,;5.16,6.41,;5.42,1.27,;3.88,1.27,;3.11,-.07,;3.88,-1.4,;2.4,-1.8,;1.31,-.71,;5.42,-1.4,;6.19,-.07,;4.28,-2.89,;3.19,-3.98,;3.59,-5.46,;5.08,-5.86,;5.48,-7.35,;6.17,-4.77,;5.77,-3.29,;-.25,6.56,;-1.58,5.79,)| Show InChI InChI=1S/C33H37ClN6O2/c1-38-16-3-13-33(38)20-24(21-33)29(42)23-5-11-27(12-6-23)35-31-36-30-28(4-2-17-40(30)37-31)39-18-14-32(22-41,15-19-39)25-7-9-26(34)10-8-25/h2,4-12,17,24,41H,3,13-16,18-22H2,1H3,(H,35,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...				J Med Chem 51: 68-76 (2008) BindingDB Entry DOI: 10.7270/Q2CC130F
					More data for this Ligand-Target Pair