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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Non-receptor tyrosine-protein kinase TYK2' and Ligand = 'BDBM325458'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))		BDBM325458
PNG
((1s,3s)-3-((4-(4-(1- (pentan-3-yl)-1H-pyrazol- 4-y...)
Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(C[C@@H]2C[C@H](O)C2)c1 |r,wU:24.26,26.29,(1.71,5.9,;.62,4.82,;-.87,5.21,;-1.26,6.7,;-.18,7.79,;-1.96,4.12,;-1.48,2.66,;-2.73,1.75,;-3.97,2.66,;-3.5,4.12,;-2.73,.21,;-1.39,-.56,;-1.39,-2.1,;-2.73,-2.87,;-4.06,-2.1,;-5.52,-2.57,;-6.43,-1.33,;-5.52,-.08,;-4.06,-.56,;-.06,-2.87,;-.06,-4.41,;1.41,-4.88,;2.31,-3.64,;3.8,-3.24,;4.57,-4.57,;4.17,-6.06,;5.66,-6.46,;6.43,-7.79,;6.06,-4.97,;1.41,-2.39,)|
Show InChI InChI=1S/C22H27N7O/c1-3-18(4-2)28-13-17(10-25-28)22-21-5-6-23-29(21)14-20(26-22)16-9-24-27(12-16)11-15-7-19(30)8-15/h5-6,9-10,12-15,18-19,30H,3-4,7-8,11H2,1-2H3/t15-,19+
PDB

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PC cid
PC sid
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US Patent
n/an/a 55n/an/an/an/an/an/a



Array BioPharma Inc.

US Patent


Assay Description
Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...

US Patent US10189845 (2019)


BindingDB Entry DOI: 10.7270/Q2Z03B7Q
More data for this
Ligand-Target Pair