Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM113217'   

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))	BDBM113217 (US8633206, 136) Show SMILES CN([C@H]1CC[C@H](CS(=O)(=O)N2CCN(C)CC2)CC1)c1ncnc2[nH]ccc12 |r,wU:2.1,wD:5.5,(-6.67,.38,;-5.33,-.38,;-4,.38,;-4,1.93,;-2.67,2.69,;-1.33,1.93,;,2.69,;1.33,1.93,;.56,.59,;2.1,.59,;2.67,2.69,;4,1.93,;5.33,2.69,;5.33,4.23,;6.67,5,;4,5,;2.67,4.23,;-1.33,.38,;-2.67,-.38,;-5.33,-1.93,;-6.67,-2.69,;-6.67,-4.23,;-5.33,-5,;-4,-4.23,;-2.54,-4.71,;-1.63,-3.47,;-2.54,-2.22,;-4,-2.69,)| Show InChI InChI=1S/C19H30N6O2S/c1-23-9-11-25(12-10-23)28(26,27)13-15-3-5-16(6-4-15)24(2)19-17-7-8-20-18(17)21-14-22-19/h7-8,14-16H,3-6,9-13H2,1-2H3,(H,20,21,22)/t15-,16-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0245	n/a	n/a	n/a	n/a	7.4	n/a
Pfizer Inc. US Patent					Assay Description A peptide mobility shift assay was used to quantify the phosphorylation of the JAKtide (JAK2 and JAK3) or the IRS-1 peptide (JAK1 and Tyk2). Reaction...				US Patent US8633206 (2014) BindingDB Entry DOI: 10.7270/Q2ZS2V44
					More data for this Ligand-Target Pair