Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM141487'   

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))	BDBM141487 (US8921368, 299) Show SMILES NC(=O)c1cnn2cc(cc2c1NC12CC3CC(O)(CC(O)(C3)C1)C2)-c1ccc2scnc2c1 |TLB:24:13:22:17.19.16,18:17:14:22.20.23,THB:19:17:14:22.20.23,19:20:14:17.24.16,24:17:22:14.13.23,12:13:22:17.19.16| Show InChI InChI=1S/C25H25N5O3S/c26-22(31)17-8-28-30-9-16(15-1-2-20-18(3-15)27-13-34-20)4-19(30)21(17)29-23-5-14-6-24(32,10-23)12-25(33,7-14)11-23/h1-4,8-9,13-14,29,32-33H,5-7,10-12H2,(H2,26,31)	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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