Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM50435515'   

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))	BDBM50435515 (CHEMBL2392483) Show SMILES COC(=O)N[C@H]1CC[C@@H](CC1)n1nnc2cnc3[nH]ccc3c12 |r,wU:5.4,wD:8.11,(54.14,-36.54,;52.78,-35.81,;51.47,-36.61,;51.51,-38.15,;50.12,-35.88,;48.81,-36.69,;48.85,-38.22,;47.55,-39.03,;46.19,-38.29,;46.14,-36.76,;47.46,-35.95,;44.88,-39.1,;43.36,-38.95,;42.75,-40.35,;43.9,-41.37,;43.89,-42.91,;45.23,-43.68,;46.57,-42.9,;48.03,-43.37,;48.93,-42.12,;48.02,-40.87,;46.56,-41.36,;45.22,-40.59,)| Show InChI InChI=1S/C15H18N6O2/c1-23-15(22)18-9-2-4-10(5-3-9)21-13-11-6-7-16-14(11)17-8-12(13)19-20-21/h6-10H,2-5H2,1H3,(H,16,17)(H,18,22)/t9-,10-	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 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 JAK1 (Homo sapiens (Human))	BDBM50435515 (CHEMBL2392483) Show SMILES COC(=O)N[C@H]1CC[C@@H](CC1)n1nnc2cnc3[nH]ccc3c12 |r,wU:5.4,wD:8.11,(54.14,-36.54,;52.78,-35.81,;51.47,-36.61,;51.51,-38.15,;50.12,-35.88,;48.81,-36.69,;48.85,-38.22,;47.55,-39.03,;46.19,-38.29,;46.14,-36.76,;47.46,-35.95,;44.88,-39.1,;43.36,-38.95,;42.75,-40.35,;43.9,-41.37,;43.89,-42.91,;45.23,-43.68,;46.57,-42.9,;48.03,-43.37,;48.93,-42.12,;48.02,-40.87,;46.56,-41.36,;45.22,-40.59,)| Show InChI InChI=1S/C15H18N6O2/c1-23-15(22)18-9-2-4-10(5-3-9)21-13-11-6-7-16-14(11)17-8-12(13)19-20-21/h6-10H,2-5H2,1H3,(H,16,17)(H,18,22)/t9-,10-	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	433	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