BDBM33447 (4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) furan-2-carboxylate::(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) furan-2-carboxylate::2-furancarboxylic acid (4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl) ester::Furan-2-carboxylic acid 4-oxo-1,2,3,4-tetrahydro-cyclopenta[c]chromen-7-yl ester::MLS000526449::SMR000116923::cid_718321::furan-2-carboxylic acid (4-keto-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl) ester

SMILES O=C(Oc1ccc2c3CCCc3c(=O)oc2c1)c1ccco1

InChI Key InChIKey=XPHAPQDWSYYERN-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 33447   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33447(MLS000526449 | (4-oxo-2,3-dihydro-1H-cyclopenta[c]...)
Affinity DataIC50: 6.22E+3nMpH: 7.4 T: 2°CAssay Description:HTS was performed on a total of 33,068 compounds of the MLSCN library, 23,017 of which were not in the mixture HTS plates used previously. These comp...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/9/2009
Entry Details
PCBioAssay
TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33447(MLS000526449 | (4-oxo-2,3-dihydro-1H-cyclopenta[c]...)
Affinity DataIC50: 6.22E+3nMAssay 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:
5/27/2011
Entry Details
PCBioAssay
TargetdTDP-4-dehydrorhamnose 3,5-epimerase(Mycobacterium tuberculosis (strain CDC 1551 / Oshk...)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33447(MLS000526449 | (4-oxo-2,3-dihydro-1H-cyclopenta[c]...)
Affinity DataIC50: 1.36E+3nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Michael McNeil, Colorado State Universi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/31/2011
Entry Details
PCBioAssay