BDBM399601 US10323036, Compound I-45::US10793574, Compound I-45::US11220508, Compound I-45

SMILES COCc1ccc(Nc2cc(NC(=O)C3CC3)nc3[nH]n(C)c(=O)c23)c(OC)c1

InChI Key InChIKey=GOZYLHMDLQTZCH-UHFFFAOYSA-N

Data  3 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 399601   

TargetNon-receptor tyrosine-protein kinase TYK2 [V731I](Human)
Nimbus Lakshmi

US Patent
LigandPNGBDBM399601(US10323036, Compound I-45 | US10793574, Compound I...)
Affinity DataKd:  5.5nMAssay Description:Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan assay (Dis...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/11/2020
Entry Details
Go to US Patent

TargetNon-receptor tyrosine-protein kinase TYK2 [556-888](Human)
Nimbus Lakshmi

US Patent
LigandPNGBDBM399601(US10323036, Compound I-45 | US10793574, Compound I...)
Affinity DataKd:  5.5nMAssay Description:Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan assay (Dis...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/14/2021
Entry Details
Go to US Patent

TargetNon-receptor tyrosine-protein kinase TYK2 [556-888](Human)
Nimbus Lakshmi

US Patent
LigandPNGBDBM399601(US10323036, Compound I-45 | US10793574, Compound I...)
Affinity DataKd:  5.5nMAssay Description:The binding reaction was assembled by combining 16 μl of DNA-tagged kinase extract, 3.8 μl liganded affinity beads, and 0.18 μl test c...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/14/2022
Entry Details
Go to US Patent