Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM366694'   

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))	BDBM366694 (2-[4-[[8-[4-(4- chlorophenyl)-4- (hydroxymethyl)-1...) Show SMILES CNC1CCN(CC1)C(=O)Cn1cc(Nc2nc3c(cccn3n2)N2CCC(CO)(CC2)c2ccc(Cl)cc2)cn1 Show InChI InChI=1S/C29H36ClN9O2/c1-31-23-8-13-37(14-9-23)26(41)19-38-18-24(17-32-38)33-28-34-27-25(3-2-12-39(27)35-28)36-15-10-29(20-40,11-16-36)21-4-6-22(30)7-5-21/h2-7,12,17-18,23,31,40H,8-11,13-16,19-20H2,1H3,(H,33,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.180	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