null

SMILES: CC(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CC2CCC1C2

InChI Key: InChIKey=LPYMOKHINZPBSQ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50402095   

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))	BDBM50402095 (CHEMBL2206637) Show SMILES CC(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CC2CCC1C2 Show InChI InChI=1S/C18H21N5O/c1-10(24)20-9-16-22-14-8-21-18-13(4-5-19-18)17(14)23(16)15-7-11-2-3-12(15)6-11/h4-5,8,11-12,15H,2-3,6-7,9H2,1H3,(H,19,21)(H,20,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th...				Bioorg Med Chem Lett 22: 7627-33 (2012) Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50402095 (CHEMBL2206637) Show SMILES CC(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CC2CCC1C2 Show InChI InChI=1S/C18H21N5O/c1-10(24)20-9-16-22-14-8-21-18-13(4-5-19-18)17(14)23(16)15-7-11-2-3-12(15)6-11/h4-5,8,11-12,15H,2-3,6-7,9H2,1H3,(H,19,21)(H,20,24)	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	160	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins prior to IL6-induction measur...				Bioorg Med Chem Lett 22: 7627-33 (2012) Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP
					More data for this Ligand-Target Pair