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SMILES: CS(=O)(=O)N1CCC(CC1)n1nnc2cnc3[nH]ccc3c12

InChI Key: InChIKey=SAKCDYZVSDEMRX-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50435521   

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 JAK1 (Homo sapiens (Human))	BDBM50435521 (CHEMBL2392489) Show SMILES CS(=O)(=O)N1CCC(CC1)n1nnc2cnc3[nH]ccc3c12 Show InChI InChI=1S/C13H16N6O2S/c1-22(20,21)18-6-3-9(4-7-18)19-12-10-2-5-14-13(10)15-8-11(12)16-17-19/h2,5,8-9H,3-4,6-7H2,1H3,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of JAK1 (unknown origin)				Bioorg Med Chem Lett 23: 3592-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.018 BindingDB Entry DOI: 10.7270/Q2GH9KB2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50435521 (CHEMBL2392489) Show SMILES CS(=O)(=O)N1CCC(CC1)n1nnc2cnc3[nH]ccc3c12 Show InChI InChI=1S/C13H16N6O2S/c1-22(20,21)18-6-3-9(4-7-18)19-12-10-2-5-14-13(10)15-8-11(12)16-17-19/h2,5,8-9H,3-4,6-7H2,1H3,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin)				Bioorg Med Chem Lett 23: 3592-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.018 BindingDB Entry DOI: 10.7270/Q2GH9KB2
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50435521 (CHEMBL2392489) Show SMILES CS(=O)(=O)N1CCC(CC1)n1nnc2cnc3[nH]ccc3c12 Show InChI InChI=1S/C13H16N6O2S/c1-22(20,21)18-6-3-9(4-7-18)19-12-10-2-5-14-13(10)15-8-11(12)16-17-19/h2,5,8-9H,3-4,6-7H2,1H3,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	249	n/a	n/a	n/a	n/a
Argenta Discovery Ltd. Curated by ChEMBL					Assay Description Inhibition of JAK1-mediated STAT3 phosphorylation in IL6-induced human TF1 cells				Bioorg Med Chem Lett 23: 3592-8 (2013) Article DOI: 10.1016/j.bmcl.2013.04.018 BindingDB Entry DOI: 10.7270/Q2GH9KB2
					More data for this Ligand-Target Pair