BDBM595456 US11591313, Compound 015::US11591313, Compound 015-HCl::US11591313, Compound 015-MES

SMILES COc1cc2ncnc(N3CCCN(CC3)S(N)(=O)=O)c2cc1OC

InChI Key InChIKey=KZXIIZCLNZSOEZ-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 595456   

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

US Patent
LigandPNGBDBM595456(US11591313, Compound 015 | US11591313, Compound 01...)
Affinity DataIC50: 32.4nMAssay 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 Depth
Date in BDB:
4/14/2023
Entry Details
Go to US Patent

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

US Patent
LigandPNGBDBM595456(US11591313, Compound 015 | US11591313, Compound 01...)
Affinity DataIC50: 6.38nMAssay 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
LigandPNGBDBM595456(US11591313, Compound 015 | US11591313, Compound 01...)
Affinity DataIC50: 5.97nMAssay 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

TargetAutotaxin(Human)
Stingray Therapeutics

US Patent
LigandPNGBDBM595456(US11591313, Compound 015 | US11591313, Compound 01...)
Affinity DataIC50: 1.00E+3nMAssay Description:Table 3: Assay Buffer: 50 mM Tris, 10 mM CaCl2, 5 mM MgCl2, 0.02% Brij-35 (v/v), pH 8.5Substrate: 20 mM Bis(p-Nitrophenyl) Phosphate Sodium Salt (BPN...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/14/2023
Entry Details
Go to US Patent