Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM141496'   

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))	BDBM141496 (US8921368, 336) Show SMILES COc1ccc(cn1)-c1cc2c(N[C@@H]3CC[C@](C)(NS(C)(=O)=O)C3(C)C)c(cnn2c1)C(N)=O |r| Show InChI InChI=1S/C23H30N6O4S/c1-22(2)18(8-9-23(22,3)28-34(5,31)32)27-20-16(21(24)30)12-26-29-13-15(10-17(20)29)14-6-7-19(33-4)25-11-14/h6-7,10-13,18,27-28H,8-9H2,1-5H3,(H2,24,30)/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	4.30	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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