Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM141477'   

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))	BDBM141477 (US8921368, 255) Show SMILES C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2ccccc2C(N)=O)C(N)=O)C1(C)C |r| Show InChI InChI=1S/C23H28N6O2/c1-22(2)18(8-9-23(22,3)26)28-19-16(21(25)31)11-27-29-12-13(10-17(19)29)14-6-4-5-7-15(14)20(24)30/h4-7,10-12,18,28H,8-9,26H2,1-3H3,(H2,24,30)(H2,25,31)/t18-,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	2.70	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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