BDBM624495 7-methoxy-4-(2-(S-methylsulfonimidoyl)- 1,2,3,4-tetrahydroisoquinolin-7-yl)quinoline::US11780849, Compound 52

SMILES COc1ccc2c(ccnc2c1)-c1ccc2CCN(Cc2c1)S(C)(=N)=O

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 624495   

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

US Patent
LigandPNGBDBM624495(7-methoxy-4-(2-(S-methylsulfonimidoyl)- 1,2,3,4-te...)
Affinity DataIC50: 505nMAssay 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
LigandPNGBDBM624495(7-methoxy-4-(2-(S-methylsulfonimidoyl)- 1,2,3,4-te...)
Affinity DataIC50: 3.50E+4nMAssay 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
LigandPNGBDBM624495(7-methoxy-4-(2-(S-methylsulfonimidoyl)- 1,2,3,4-te...)
Affinity DataKi:  152nMAssay 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
LigandPNGBDBM624495(7-methoxy-4-(2-(S-methylsulfonimidoyl)- 1,2,3,4-te...)
Affinity DataKi:  6.30E+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