BDBM489335 Example 7-5::US10961242, Compound 55::US11548883, Compound 55

SMILES FC(F)(F)Oc1cccc(CNc2ncc(cn2)-c2cn(CC(=O)N3CCc4[nH]nnc4C3)nn2)c1

InChI Key InChIKey=XGLLFFJHJBCQDE-UHFFFAOYSA-N

Data  2 IC50

  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 2 hits for monomerid = 489335   

TargetAutotaxin(Human)
Legochem Biosciences

US Patent
LigandPNGBDBM489335(US10961242, Compound 55 | Example 7-5 | US11548883...)
Affinity DataIC50: 2.90nMAssay Description:Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/4/2021
Entry Details
Go to US Patent

TargetAutotaxin(Human)
Legochem Biosciences

US Patent
LigandPNGBDBM489335(US10961242, Compound 55 | Example 7-5 | US11548883...)
Affinity DataIC50: 2.90nMAssay Description:Two-fold dilution of each test compound solution (10 μM, 100% dimethyl sulfoxide) is carried out on 96-well V bottom plate (Costar 3363). After ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/5/2023
Entry Details
Go to US Patent