Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM151041'   

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))	BDBM151041 (US8987268, 60) Show SMILES C[C@H]1[C@@H](C[C@@H]2CN(C[C@H]12)S(C)(=O)=O)Nc1c(cnn2cc(cc12)N1CCN(C(C)=O)C1=O)C(N)=O Show InChI InChI=1S/C22H29N7O5S/c1-12-17-11-26(35(3,33)34)9-14(17)6-18(12)25-20-16(21(23)31)8-24-29-10-15(7-19(20)29)28-5-4-27(13(2)30)22(28)32/h7-8,10,12,14,17-18,25H,4-6,9,11H2,1-3H3,(H2,23,31)/t12-,14-,17-,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	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 substrat...				US Patent US8987268 (2015) BindingDB Entry DOI: 10.7270/Q2NG4PC2
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