Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM366689'   

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))	BDBM366689 (4-[[8-[4-(4- chlorophenyl)-4- (hydroxymethyl)-1- p...) Show SMILES OCC1(CCN(CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)NCCCN3CCOCC3)nc12)c1ccc(Cl)cc1 Show InChI InChI=1S/C32H38ClN7O3/c33-26-8-6-25(7-9-26)32(23-41)12-17-39(18-13-32)28-3-1-16-40-29(28)36-31(37-40)35-27-10-4-24(5-11-27)30(42)34-14-2-15-38-19-21-43-22-20-38/h1,3-11,16,41H,2,12-15,17-23H2,(H,34,42)(H,35,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.270	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