Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM398502'   

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))	BDBM398502 ((2R)-1,1,1-Trifluoro-3-{[cis-4-({4-[(5-methoxy-1-m...) Show SMILES COc1cc(Nc2cc(O[C@@H]3CC[C@@H](CC3)NC[C@@H](O)C(F)(F)F)cc3n(C)cnc23)nn1C |r,wU:13.16,10.9,wD:18.19,(-2.37,-9.48,;-3.14,-8.15,;-2.37,-6.81,;-.84,-6.66,;-.51,-5.15,;.82,-4.38,;.82,-2.84,;-.51,-2.07,;-.51,-.53,;-1.85,.24,;-1.85,1.78,;-.51,2.55,;-.51,4.09,;-1.85,4.86,;-3.18,4.09,;-3.18,2.55,;-1.85,6.4,;-3.18,7.17,;-3.18,8.71,;-1.85,9.48,;-4.51,9.48,;-4.51,11.02,;-5.85,8.71,;-5.85,10.25,;.82,.24,;2.15,-.53,;3.62,-.05,;4.02,1.43,;4.52,-1.3,;3.62,-2.55,;2.15,-2.07,;-1.85,-4.38,;-2.99,-5.4,;-4.52,-5.24,)| Show InChI InChI=1S/C22H29F3N6O3/c1-30-12-27-21-16(28-19-10-20(33-3)31(2)29-19)8-15(9-17(21)30)34-14-6-4-13(5-7-14)26-11-18(32)22(23,24)25/h8-10,12-14,18,26,32H,4-7,11H2,1-3H3,(H,28,29)/t13-,14+,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.25	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute					Assay Description The JAK LanthaScreen Kinase Assay (Invitrogen) is used to determine the ability of test compounds to inhibit JAK1, JAK2, and JAK3 kinase activity. Th...				Bioorg Med Chem Lett 19: 3344-7 (2009) BindingDB Entry DOI: 10.7270/Q2TF00QZ
					More data for this Ligand-Target Pair