Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM151063'   

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))	BDBM151063 (US8987268, 184) Show SMILES C[C@H]1CN(C[C@H]1Nc1c(cnn2cc(cc12)-c1cnn(CC(=O)N2CC(F)(F)C2)c1)C(N)=O)c1ccc(cn1)C#N Show InChI InChI=1S/C27H26F2N10O2/c1-16-9-36(23-3-2-17(5-30)6-32-23)12-21(16)35-25-20(26(31)41)8-34-39-11-18(4-22(25)39)19-7-33-38(10-19)13-24(40)37-14-27(28,29)15-37/h2-4,6-8,10-11,16,21,35H,9,12-15H2,1H3,(H2,31,41)/t16-,21+/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	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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