Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM50243813'   

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))	BDBM50243813 (CHEMBL4068319) Show SMILES CN([C@@H]1C[C@@H](C1)NS(=O)(=O)CC1CCC1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.6,(5.93,-12.31,;7.26,-13.07,;8.6,-12.3,;8.99,-10.8,;10.48,-11.2,;10.08,-12.69,;11.81,-10.42,;13.14,-11.19,;13.9,-12.52,;12.37,-12.51,;14.48,-10.42,;15.81,-11.19,;16.2,-12.67,;17.69,-12.28,;17.29,-10.79,;7.27,-14.61,;5.94,-15.39,;5.94,-16.93,;7.27,-17.7,;8.61,-16.92,;10.08,-17.39,;10.98,-16.14,;10.07,-14.89,;8.6,-15.38,)| Show InChI InChI=1S/C16H23N5O2S/c1-21(16-14-5-6-17-15(14)18-10-19-16)13-7-12(8-13)20-24(22,23)9-11-3-2-4-11/h5-6,10-13,20H,2-4,7-9H2,1H3,(H,17,18,19)/t12-,13+	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	10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity of the Compound was tested against HIV protease enzyme.				J Med Chem 61: 1130-1152 (2018) Article DOI: 10.1021/acs.jmedchem.7b01598 BindingDB Entry DOI: 10.7270/Q2D79DTW
					More data for this Ligand-Target Pair