Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM141454'   

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))	BDBM141454 (US8921368, 60) Show SMILES CC(C)c1ccccc1-c1cc2c(N[C@@H]3CCC[C@]3(C)F)c(cnn2c1)C(N)=O |r| Show InChI InChI=1S/C23H27FN4O/c1-14(2)16-7-4-5-8-17(16)15-11-19-21(27-20-9-6-10-23(20,3)24)18(22(25)29)12-26-28(19)13-15/h4-5,7-8,11-14,20,27H,6,9-10H2,1-3H3,(H2,25,29)/t20-,23+/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	253	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 substr...				US Patent US8921368 (2014) BindingDB Entry DOI: 10.7270/Q2HH6HS7
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