BDBM595471 US11591313, Compound 039::US11591313, Compound 039-E2

SMILES COc1cc2ncc(C#N)c(N3CCCC(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 = 595471   

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

US Patent
LigandPNGBDBM595471(US11591313, Compound 039 | US11591313, Compound 03...)
Affinity DataIC50: 0.870nMAssay 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 Depth
Date in BDB:
4/14/2023
Entry Details
Go to US Patent

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

US Patent
LigandPNGBDBM595471(US11591313, Compound 039 | US11591313, Compound 03...)
Affinity DataIC50: 0.220nMAssay 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 Depth
Date in BDB:
4/14/2023
Entry Details
Go to US Patent