BDBM595482 US11591313, Compound 049

SMILES COc1cc2ncnc(N3CCCC(CCNS(N)(=O)=O)CC3)c2cc1OC

InChI Key InChIKey=FIDDIEZAKXHTAT-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:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 595482   

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

US Patent
LigandPNGBDBM595482(US11591313, Compound 049)
Affinity DataIC50: 1.79nMAssay 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
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TargetAutotaxin(Human)
Stingray Therapeutics

US Patent
LigandPNGBDBM595482(US11591313, Compound 049)
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