Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1 [574-1154]' and Ligand = 'BDBM493068'   

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 [574-1154] (Homo sapiens (Human))	BDBM493068 (2-((1r,4r)-4-(2-(1H-1,2,4-Triazol-3-yl)imidazo[4,5...) Show SMILES N#CC[C@H]1CC[C@@H](CC1)n1c(nc2cnc3[nH]ccc3c12)-c1nc[nH]n1 |r,wU:3.2,wD:6.9,(5.55,3.67,;4.06,4.07,;2.57,4.47,;1.48,3.38,;1.88,1.89,;.79,.81,;-.69,1.2,;-1.09,2.69,;-0,3.78,;-1.78,.12,;-3.31,.28,;-3.94,-1.13,;-2.8,-2.16,;-2.8,-3.7,;-1.46,-4.47,;-.13,-3.7,;1.34,-4.18,;2.24,-2.93,;1.34,-1.69,;-.13,-2.16,;-1.46,-1.39,;-4.08,1.61,;-3.18,2.86,;-4.08,4.1,;-5.55,3.63,;-5.55,2.09,)| Show InChI InChI=1S/C18H16N8/c19-7-5-11-1-3-12(4-2-11)26-15-13-6-8-20-16(13)21-9-14(15)24-18(26)17-22-10-23-25-17/h6,8-12H,1-5H2/b18-17+/t11-,12-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut...				US Patent US10981911 (2021) BindingDB Entry DOI: 10.7270/Q27P92G6
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