BDBM50111616 CHEMBL412073::[Tris-(2,2-dicarboxycyclopropyl)]-Buckmins model

SMILES OC(=O)C1(C(O)=O)C23c4c5-c6c7c8c9c%10c%11c%12c%13c%14-c(c5C75C(C(O)=O)(C(O)=O)C%10%135)c5c4-c4c2c2c7c%10c%13c(c6C13%10)c8c1c9c3c%11c6c8c%12c9c%14C55C(C(O)=O)(C(O)=O)C55c4c4c%10c5c9c8c5c%10c8c(c24)c7c2c%13c1c1c2c8c5c6c31

InChI Key InChIKey=REBFNSXLKVXRSF-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 50111616   

TargetBeta-lactamase(Escherichia coli (strain K12))
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50111616([Tris-(2,2-dicarboxycyclopropyl)]-Buckmins model |...)
Affinity DataIC50: 7.00E+3nMAssay Description:Inhibitory activity against beta-lactamaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/27/2012
Entry Details Article
PubMed
TargetChymotrypsin-C(Human)
Northwestern University

Curated by ChEMBL
LigandPNGBDBM50111616([Tris-(2,2-dicarboxycyclopropyl)]-Buckmins model |...)
Affinity DataIC50: 6.00E+4nMAssay Description:Inhibitory activity against chymotrypsinogenMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/27/2012
Entry Details Article
PubMed