Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM50435512'   

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))	BDBM50435512 (CHEMBL2392499) Show SMILES O[C@H]1CC[C@@H](CC1)n1nnc2cnc3[nH]ccc3c12 |r,wU:1.0,wD:4.7,(64.38,-23.09,;63.07,-23.89,;63.11,-25.43,;61.81,-26.23,;60.45,-25.5,;60.4,-23.97,;61.72,-23.16,;59.15,-26.3,;57.63,-26.15,;57.01,-27.56,;58.16,-28.57,;58.16,-30.11,;59.49,-30.88,;60.83,-30.11,;62.3,-30.57,;63.2,-29.32,;62.28,-28.08,;60.82,-28.56,;59.48,-27.8,)| Show InChI InChI=1S/C13H15N5O/c19-9-3-1-8(2-4-9)18-12-10-5-6-14-13(10)15-7-11(12)16-17-18/h5-9,19H,1-4H2,(H,14,15)/t8-,9-	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))	BDBM50435512 (CHEMBL2392499) Show SMILES O[C@H]1CC[C@@H](CC1)n1nnc2cnc3[nH]ccc3c12 |r,wU:1.0,wD:4.7,(64.38,-23.09,;63.07,-23.89,;63.11,-25.43,;61.81,-26.23,;60.45,-25.5,;60.4,-23.97,;61.72,-23.16,;59.15,-26.3,;57.63,-26.15,;57.01,-27.56,;58.16,-28.57,;58.16,-30.11,;59.49,-30.88,;60.83,-30.11,;62.3,-30.57,;63.2,-29.32,;62.28,-28.08,;60.82,-28.56,;59.48,-27.8,)| Show InChI InChI=1S/C13H15N5O/c19-9-3-1-8(2-4-9)18-12-10-5-6-14-13(10)15-7-11(12)16-17-18/h5-9,19H,1-4H2,(H,14,15)/t8-,9-	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	558	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