Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM50435522'   

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))	BDBM50435522 (CHEMBL2392480) Show SMILES N#CCCN[C@H]1CC[C@@H](CC1)n1nnc2cnc3[nH]ccc3c12 |r,wU:5.4,wD:8.11,(11.59,-36.36,;10.24,-35.63,;8.89,-34.9,;7.58,-35.71,;6.22,-34.97,;4.91,-35.78,;4.95,-37.32,;3.65,-38.12,;2.29,-37.39,;2.24,-35.85,;3.56,-35.04,;.99,-38.19,;-.54,-38.04,;-1.15,-39.44,;-.01,-40.46,;-.01,-42,;1.33,-42.77,;2.67,-41.99,;4.14,-42.46,;5.04,-41.21,;4.12,-39.97,;2.66,-40.45,;1.32,-39.68,)| Show InChI InChI=1S/C16H19N7/c17-7-1-8-18-11-2-4-12(5-3-11)23-15-13-6-9-19-16(13)20-10-14(15)21-22-23/h6,9-12,18H,1-5,8H2,(H,19,20)/t11-,12-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.90	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))	BDBM50435522 (CHEMBL2392480) Show SMILES N#CCCN[C@H]1CC[C@@H](CC1)n1nnc2cnc3[nH]ccc3c12 |r,wU:5.4,wD:8.11,(11.59,-36.36,;10.24,-35.63,;8.89,-34.9,;7.58,-35.71,;6.22,-34.97,;4.91,-35.78,;4.95,-37.32,;3.65,-38.12,;2.29,-37.39,;2.24,-35.85,;3.56,-35.04,;.99,-38.19,;-.54,-38.04,;-1.15,-39.44,;-.01,-40.46,;-.01,-42,;1.33,-42.77,;2.67,-41.99,;4.14,-42.46,;5.04,-41.21,;4.12,-39.97,;2.66,-40.45,;1.32,-39.68,)| Show InChI InChI=1S/C16H19N7/c17-7-1-8-18-11-2-4-12(5-3-11)23-15-13-6-9-19-16(13)20-10-14(15)21-22-23/h6,9-12,18H,1-5,8H2,(H,19,20)/t11-,12-	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	165	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