BDBM32978 (8S)-3-[3-(1-oxohexylamino)phenyl]-7-[(E)-1-oxopent-2-enyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide::(8S)-3-[3-(caproylamino)phenyl]-7-[(E)-pent-2-enoyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide::(8S)-3-[3-(hexanoylamino)phenyl]-7-[(E)-pent-2-enoyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide::MLS000561993::SMR000390657::cid_16681939

SMILES CCCCCC(=O)Nc1cccc(c1)C1=NOC2(C[C@H](N(C2)C(=O)\C=C\CC)C(N)=O)C1

InChI Key InChIKey=FNMHNPKQIXJKQG-UHFFFAOYSA-N

Data  1 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 = 32978   

TargetCoagulation factor XI(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM32978((8S)-3-[3-(hexanoylamino)phenyl]-7-[(E)-pent-2-eno...)
Affinity DataIC50: 9.23E+3nMpH: 7.4 T: 2°CAssay Description:Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/26/2009
Entry Details
PCBioAssay