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SMILES: CS(=O)(=O)N1CCCC(CC1)Nc1ncccc1-c1cnc2[nH]ccc2n1

InChI Key: InChIKey=AUWLNQDLZOSAFU-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 112541   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM112541 (US8618103, I-37) Show SMILES CS(=O)(=O)N1CCCC(CC1)Nc1ncccc1-c1cnc2[nH]ccc2n1 Show InChI InChI=1S/C18H22N6O2S/c1-27(25,26)24-10-3-4-13(7-11-24)22-17-14(5-2-8-19-17)16-12-21-18-15(23-16)6-9-20-18/h2,5-6,8-9,12-13H,3-4,7,10-11H2,1H3,(H,19,22)(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.0197	n/a	0.0394	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.				US Patent US8618103 (2013) BindingDB Entry DOI: 10.7270/Q25H7DZH
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM112541 (US8618103, I-37) Show SMILES CS(=O)(=O)N1CCCC(CC1)Nc1ncccc1-c1cnc2[nH]ccc2n1 Show InChI InChI=1S/C18H22N6O2S/c1-27(25,26)24-10-3-4-13(7-11-24)22-17-14(5-2-8-19-17)16-12-21-18-15(23-16)6-9-20-18/h2,5-6,8-9,12-13H,3-4,7,10-11H2,1H3,(H,19,22)(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.00890	n/a	n/a	n/a	n/a	7.2	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP.				US Patent US8618103 (2013) BindingDB Entry DOI: 10.7270/Q25H7DZH
					More data for this Ligand-Target Pair