BDBM624534 US11780849, Compound 114a

SMILES COc1cc2nccc(Oc3ccc(cc3)[S@](C)(=N)=O)c2cc1F

InChI Key InChIKey=CDAFKEZKJMKJMK-UHFFFAOYSA-N

Data  2 KI  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 4 hits for monomerid = 624534   

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

US Patent
LigandPNGBDBM624534(US11780849, Compound 114a)
Affinity DataIC50: 10nMAssay Description:Assay 1: Test compounds were plated in a 3 dilution scheme in a 384 well plate. To 50 nL of test compound in DMSO was added 2.5 μL ENPP-1 ECD in...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/17/2023
Entry Details
Go to US Patent

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

US Patent
LigandPNGBDBM624534(US11780849, Compound 114a)
Affinity DataIC50: 940nMAssay Description:Assay 1: Test compounds were plated in a 3 dilution scheme in a 384 well plate. To 50 nL of test compound in DMSO was added 2.5 μL ENPP-1 ECD in...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/17/2023
Entry Details
Go to US Patent

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

US Patent
LigandPNGBDBM624534(US11780849, Compound 114a)
Affinity DataKi: <3nMAssay Description:Assay 2: Compared to the conditions in Assay 1, this assay has a larger dynamic range and ensures the system is under steady-state conditions by redu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/17/2023
Entry Details
Go to US Patent

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

US Patent
LigandPNGBDBM624534(US11780849, Compound 114a)
Affinity DataKi:  88nMAssay Description:Assay 2: Compared to the conditions in Assay 1, this assay has a larger dynamic range and ensures the system is under steady-state conditions by redu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/17/2023
Entry Details
Go to US Patent