BDBM80045 5-Nitro-furan-2-carboxylic acid (3-carbamoyl-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-amide::MLS001217121::N-(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-nitro-furan-2-carboxamide::N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-nitro-2-furancarboxamide::N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-nitrofuran-2-carboxamide::N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-5-nitro-2-furamide::SMR000612468::cid_3154704

SMILES NC(=O)c1c(NC(=O)c2ccc(o2)[N+]([O-])=O)sc2CCCCc12

InChI Key InChIKey=CMXOFXZKZSVSRM-UHFFFAOYSA-N

Data  2 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 80045   

TargetC-C chemokine receptor type 6(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 80045BDBM80045(MLS001217121 | 5-Nitro-furan-2-carboxylic acid (3-...)
Affinity DataIC50: 2.85E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, CA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/3/2011
Entry Details
PCBioAssay
TargetBeta-galactosidase(Escherichia coli)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 80045BDBM80045(MLS001217121 | 5-Nitro-furan-2-carboxylic acid (3-...)
Affinity DataIC50: 6.66E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/3/2011
Entry Details
PCBioAssay