BDBM595472 US11591313, Compound 039-E1::US11591313, Compound 040-E1

SMILES COc1cc2ncc(C#N)c(N3CCC[C@@H](CNS(N)(=O)=O)CC3)c2cc1OC

InChI Key InChIKey=XAARVCKTUWACPA-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 = 595472   

TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 1(Human)
Stingray Therapeutics

US Patent
LigandPNGBDBM595472(US11591313, Compound 039-E1 | US11591313, Compound...)
Affinity DataIC50: 0.5nMAssay Description:Table 1: Assay Buffer: 1 mM CaCl2, 0.2 mM ZnCl2, 50 mM Tris, pH 9.0 Substrate: 1.5 mM Thymidine 5′-monophosphate disodium salt hydrate (Sigma: ...More data for this Ligand-Target Pair
In DepthDetails
US Patent

TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 1(Human)
Stingray Therapeutics

US Patent
LigandPNGBDBM595472(US11591313, Compound 039-E1 | US11591313, Compound...)
Affinity DataIC50: 67.4nMAssay Description:Table 1: Assay Buffer: 1 mM CaCl2, 0.2 mM ZnCl2, 50 mM Tris, pH 9.0 Substrate: 1.5 mM Thymidine 5′-monophosphate disodium salt hydrate (Sigma: ...More data for this Ligand-Target Pair
In DepthDetails
US Patent