BDBM700435 BDBM700436::BDBM700462::US20240336629, Compound 3A

SMILES C[C@@H](COCCC(=O)N1CCN2[C@H](C1)C(=O)N(C)c1cc(cnc21)C(F)(F)F)Nc1cn[nH]c(=O)c1C(F)(F)F

InChI Key InChIKey=LOFCOPHVUTXSRB-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 700435   

TargetProtein mono-ADP-ribosyltransferase TIPARP(Human)
Jacobio Pharmaceuticals

US Patent
LigandPNGBDBM700435(US20240336629, Compound 3A | BDBM700436 | BDBM7004...)
Affinity DataIC50: 1.22nMAssay Description:(1) Each compound to be tested was prepared using gradient dilution method with DMSO and water to obtain a solution with the concentration of 50 nM, ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/10/2025
Entry Details
US Patent

TargetProtein mono-ADP-ribosyltransferase TIPARP(Human)
Jacobio Pharmaceuticals

US Patent
LigandPNGBDBM700435(US20240336629, Compound 3A | BDBM700436 | BDBM7004...)
Affinity DataIC50: 1.78nMAssay Description:(1) Each compound to be tested was prepared using gradient dilution method with DMSO and water to obtain a solution with the concentration of 50 nM, ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/10/2025
Entry Details
US Patent

TargetProtein mono-ADP-ribosyltransferase TIPARP(Human)
Jacobio Pharmaceuticals

US Patent
LigandPNGBDBM700435(US20240336629, Compound 3A | BDBM700436 | BDBM7004...)
Affinity DataIC50: 1.83nMAssay Description:(1) Each compound to be tested was prepared using gradient dilution method with DMSO and water to obtain a solution with the concentration of 50 nM, ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/10/2025
Entry Details
US Patent