Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1' and Ligand = 'BDBM489977'   

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))	BDBM489977 (US10966980, Example 231) Show SMILES CN([C@@H]1C[C@H](CS(=O)(=O)c2cnccc2C)C1)c1ncnc2[nH]ccc12 |r,wD:2.1,4.4,(-4.94,1.38,;-3.61,.61,;-2.28,1.38,;-1.88,2.87,;-.39,2.47,;.94,3.24,;2.28,2.47,;3.61,3.24,;2.28,4.01,;2.28,.93,;.94,.16,;.94,-1.38,;2.28,-2.15,;3.61,-1.38,;3.61,.16,;4.94,.93,;-.79,.98,;-3.61,-.93,;-4.94,-1.7,;-4.94,-3.24,;-3.61,-4.01,;-2.28,-3.24,;-.81,-3.72,;.09,-2.47,;-.81,-1.22,;-2.28,-1.7,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00500	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Test article and assay controls were added to a 384-well plate. Reaction mixtures contained 20 mM HEPES, pH 7.4, 10 mM magnesium chloride, 0.01% bovi...				US Patent US10966980 (2021) BindingDB Entry DOI: 10.7270/Q29S1V59
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