BDBM88996 (3aS,4S,9aS,9bR)-2-ethyl-1,3-diketo-4-[4-(sec-butylthio)phenyl]-4,6,7,8,9,9b-hexahydro-3aH-pyrrol[3,4-a]indolizine-9a-carboxylic acid methyl ester;2,2,2-trifluoroacetic acid::(3aS,4S,9aS,9bR)-4-[4-(butan-2-ylthio)phenyl]-2-ethyl-1,3-dioxo-4,6,7,8,9,9b-hexahydro-3aH-pyrrolo[3,4-a]indolizine-9a-carboxylic acid methyl ester;2,2,2-trifluoroacetic acid::MLS001074600::SMR001217228::cid_24978912::methyl (3aS,4S,9aS,9bR)-4-(4-butan-2-ylsulfanylphenyl)-2-ethyl-1,3-bis(oxidanylidene)-4,6,7,8,9,9b-hexahydro-3aH-pyrrolo[3,4-a]indolizine-9a-carboxylate;2,2,2-tris(fluoranyl)ethanoic acid::methyl (3aS,4S,9aS,9bR)-4-(4-butan-2-ylsulfanylphenyl)-2-ethyl-1,3-dioxo-4,6,7,8,9,9b-hexahydro-3aH-pyrrolo[3,4-a]indolizine-9a-carboxylate;2,2,2-trifluoroacetic acid

SMILES CCC(C)Sc1ccc(cc1)[C@@H]1[C@@H]2[C@@H](C(=O)N(CC)C2=O)[C@@]2(CCCCN12)C(=O)OC

InChI Key InChIKey=WLVBJZNQSRUVTQ-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 88996   

TargetProthrombin(Bovine)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM88996(MLS001074600 | (3aS,4S,9aS,9bR)-4-[4-(butan-2-ylth...)
Affinity DataIC50: 4.78E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2012
Entry Details
PCBioAssay
Target26S proteasome non-ATPase regulatory subunit 14(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM88996(MLS001074600 | (3aS,4S,9aS,9bR)-4-[4-(butan-2-ylth...)
Affinity DataIC50: 6.90E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2012
Entry Details
PCBioAssay