BDBM624514 US11780849, Compound 75a

SMILES COc1ccc2c(OCc3ccc(cc3)[S@@](C)(=N)=O)ccnc2c1

InChI Key InChIKey=SMDRYZNWNOJJTO-DEOSSOPVSA-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 = 624514   

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

US Patent
LigandPNGBDBM624514(US11780849, Compound 75a)
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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 1(Homo sapiens (Human))
Volastra Therapeutics

US Patent
LigandPNGBDBM624514(US11780849, Compound 75a)
Affinity DataKi:  380nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 1(Homo sapiens (Human))
Volastra Therapeutics

US Patent
LigandPNGBDBM624514(US11780849, Compound 75a)
Affinity DataIC50:  3.00E+3nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 1(Homo sapiens (Human))
Volastra Therapeutics

US Patent
LigandPNGBDBM624514(US11780849, Compound 75a)
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
Ligand InfoPC cidPC sid
In DepthDetails US Patent