BDBM489367 Example 12-1::US10961242, Compound 80::US11548883, Compound 80

SMILES O=C(Cn1cc(c(CN2CCOCC2)n1)-c1cnc(NC2Cc3ccccc3C2)nc1)N1CCc2[nH]nnc2C1

InChI Key InChIKey=XXZCIYUJYUESMD-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 = 489367   

TargetAutotaxin(Human)
Legochem Biosciences

US Patent
LigandPNGBDBM489367(US10961242, Compound 80 | Example 12-1 | US1154888...)
Affinity DataIC50: 1.56nMAssay 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
LigandPNGBDBM489367(US10961242, Compound 80 | Example 12-1 | US1154888...)
Affinity DataIC50: 1.56nMAssay 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