BDBM83787 3-(1-adamantyl)-1-(phenylmethyl)-1-(pyridin-4-ylmethyl)urea::3-(1-adamantyl)-1-benzyl-1-(4-pyridylmethyl)urea::3-(1-adamantyl)-1-benzyl-1-(pyridin-4-ylmethyl)urea::MLS000683914::N'-1-adamantyl-N-benzyl-N-(4-pyridinylmethyl)urea::SMR000295669::cid_2968162

SMILES C[C@H]1CN(c2ncnc3c2c2cc(F)c(S(=O)(=O)NC4(C#N)CC4)cc2n3-c2nnc(C(F)F)s2)CCN1C(=O)N(C)C

InChI Key InChIKey=LXANSHVJIYIEKN-UHFFFAOYSA-N

Data  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 83787   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 83787BDBM83787((S)-4-(7-(N-(1- Cyanocyclopropyl)sulfamoyl)-9-(5- ...)
Affinity DataIC50: 0.000100nMAssay Description:Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/6/2026
Entry Details
US Patent