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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 [V731I]' and Ligand = 'BDBM399577'   
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 [V731I]


(Homo sapiens (Human))		BDBM399577
PNG
(US10323036, Compound I-20 | US10793574, Compound I...)
Show SMILES COc1c(Nc2cc(Nc3ccc(cn3)N3CCOCC3)nc3[nH]n(C)c(=O)c23)cccc1-c1ncn(C)n1
Show InChI InChI=1S/C26H28N10O3/c1-34-15-28-24(32-34)17-5-4-6-18(23(17)38-3)29-19-13-21(31-25-22(19)26(37)35(2)33-25)30-20-8-7-16(14-27-20)36-9-11-39-12-10-36/h4-8,13-15H,9-12H2,1-3H3,(H3,27,29,30,31,33)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/a 0.300n/an/an/an/an/a



Novartis Institute for Tropical Diseases



Assay Description
Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...

Anal Biochem 395: 195-204 (2009)


BindingDB Entry DOI: 10.7270/Q2X63Q9X
More data for this
Ligand-Target Pair