BDBM56723 4-[3-(1,3-diketo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanoylamino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester::4-[[3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-1-oxopropyl]amino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester::MLS001006553::SMR000349516::cid_4538890::ethyl 4-[3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanoylamino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate::ethyl 4-[3-[1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoylamino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate

SMILES CCOC(=O)C1C(CC)=Nc2ccccc2N=C1NC(=O)CCN1C(=O)C2CCCCC2C1=O

InChI Key InChIKey=QECDOTAGMRBKOP-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 56723   

TargetKallikrein-5(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM56723(4-[[3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2...)
Affinity DataIC50: 5.00E+4nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/8/2011
Entry Details
PCBioAssay