Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK1 [574-1154]' and Ligand = 'BDBM493081'   

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))	BDBM493081 (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) Show SMILES OC12CC3CC(C1)CC(CNC(=O)Cc1nc4cnc5[nH]ccc5c4n1[C@H]1CC[C@H](CC#N)CC1)(C3)C2 |r,wU:29.33,wD:26.29,TLB:6:1:35:7.5.4,THB:6:5:35:1.2.36,0:1:35:7.5.4,0:1:7:35.3.4,2:1:7:35.3.4,2:3:7:1.6.36,(.49,3.62,;-1,3.22,;-1,4.76,;-2.33,5.53,;-3.08,4.37,;-3.1,1.97,;-1.9,1.3,;-4.49,1.32,;-3.66,3.22,;-5.2,3.22,;-5.97,1.89,;-5.2,.56,;-5.97,-.78,;-3.66,.56,;-2.89,-.78,;-3.52,-2.18,;-2.38,-3.22,;-2.39,-4.76,;-1.06,-5.53,;.28,-4.77,;1.74,-5.25,;2.65,-4.01,;1.75,-2.76,;.28,-3.23,;-1.05,-2.45,;-1.36,-.94,;-.27,.14,;1.22,-.25,;2.31,.83,;1.91,2.32,;3,3.41,;4.48,3.01,;5.97,2.61,;.42,2.72,;-.67,1.63,;-3.66,4.76,;-2.33,2.45,)| Show InChI	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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