Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK2' and Ligand = 'BDBM113176'   

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 JAK2 (Homo sapiens (Human))	BDBM113176 (US8633206, 94) Show SMILES CCc1ccc(COC[C@H]2CCN(C2)S(=O)(=O)C[C@H]2CC[C@@H](CC2)N(C)c2ncnc3[nH]ccc23)nc1 |r,wU:18.18,9.8,wD:21.25,(-8.08,-5.28,;-9.17,-4.2,;-8.77,-2.71,;-9.86,-1.62,;-9.46,-.13,;-7.97,.27,;-7.57,1.75,;-6.09,2.15,;-5.69,3.64,;-4.2,4.04,;-3.3,5.28,;-1.83,4.81,;-1.85,3.27,;-3.3,2.79,;-.51,2.5,;-.51,.96,;.82,1.73,;.82,3.27,;2.15,2.5,;3.49,3.27,;4.82,2.5,;4.82,.96,;3.49,.19,;2.15,.96,;6.15,.19,;7.49,.96,;6.15,-1.35,;4.82,-2.12,;4.82,-3.66,;6.15,-4.43,;7.49,-3.66,;8.95,-4.14,;9.86,-2.89,;8.95,-1.65,;7.49,-2.12,;-6.88,-.82,;-7.28,-2.31,)| Show InChI InChI=1S/C27H38N6O3S/c1-3-20-4-7-23(29-14-20)17-36-16-22-11-13-33(15-22)37(34,35)18-21-5-8-24(9-6-21)32(2)27-25-10-12-28-26(25)30-19-31-27/h4,7,10,12,14,19,21-22,24H,3,5-6,8-9,11,13,15-18H2,1-2H3,(H,28,30,31)/t21-,22-,24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	63.6	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