BDBM87312 3,4,5-trimethoxybenzoic acid [2-[(3-carbamoyl-2-thienyl)amino]-2-keto-ethyl] ester::3,4,5-trimethoxybenzoic acid [2-[(3-carbamoyl-2-thiophenyl)amino]-2-oxoethyl] ester::MLS001061286::SMR000384985::[2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3,4,5-trimethoxybenzoate::[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3,4,5-trimethoxybenzoate::cid_2527216

SMILES CN(C)C1CCN(c2ncnc3c2c2ccc(S(=O)(=O)NC4(C#N)CC4)cc2n3-c2nnc(C(F)F)s2)C[C@@H]1F

InChI Key InChIKey=SUHUIBVLLNJBDK-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 87312   

TargetPoly(ADP-ribose) glycohydrolase(Human)
Danatlas Pharmaceuticals

US Patent
LigandChemical structure of BindingDB Monomer ID 87312BDBM87312(N-(1-cyanocyclo- propyl)-9-(5- (difluoromethyl)-1,...)
Affinity DataIC50: 0.000100nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/6/2026
Entry Details
US Patent