Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK3' and Ligand = 'BDBM151051'   

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 JAK3 (Homo sapiens (Human))	BDBM151051 (US8987268, 105) Show SMILES CC1(C)CN(CC[C@H]1Nc1c(cnn2cc(cc12)N1CC[C@@H](O)C1=O)C(N)=O)c1ccc(cn1)C#N Show InChI InChI=1S/C25H28N8O3/c1-25(2)14-31(21-4-3-15(10-26)11-28-21)7-6-20(25)30-22-17(23(27)35)12-29-33-13-16(9-18(22)33)32-8-5-19(34)24(32)36/h3-4,9,11-13,19-20,30,34H,5-8,14H2,1-2H3,(H2,27,35)/t19-,20-/m1/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	0.200	n/a	n/a	n/a	n/a	7.4	25
Bristol-Myers Squibb Company US Patent					Assay Description The assay reactions were performed in U-bottom 384-well plates. The final assay volume was 30 ul prepared from 15 ul additions of enzyme and substrat...				US Patent US8987268 (2015) BindingDB Entry DOI: 10.7270/Q2NG4PC2
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