Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM141481'   

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))	BDBM141481 (US8921368, 272) Show SMILES C[C@]1(N)CC[C@@H](Nc2c(cnn3cc(cc23)-c2cccc3ncccc23)C(N)=O)C1(C)C |r| Show InChI InChI=1S/C25H28N6O/c1-24(2)21(9-10-25(24,3)27)30-22-18(23(26)32)13-29-31-14-15(12-20(22)31)16-6-4-8-19-17(16)7-5-11-28-19/h4-8,11-14,21,30H,9-10,27H2,1-3H3,(H2,26,32)/t21-,25+/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	5.40	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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