BDBM45678 2-(2-furanyl)-4-quinolinecarboxylic acid [2-(methylamino)-2-oxoethyl] ester::2-(2-furyl)cinchoninic acid [2-keto-2-(methylamino)ethyl] ester::MLS000877958::SMR000376950::[2-(methylamino)-2-oxidanylidene-ethyl] 2-(furan-2-yl)quinoline-4-carboxylate::[2-(methylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate::cid_4875638

SMILES CNC(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1

InChI Key InChIKey=PCOMOZFNQLODPV-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 = 45678   

LigandPNGBDBM45678([2-(methylamino)-2-oxidanylidene-ethyl] 2-(furan-2...)
Affinity DataIC50: 3.18E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2011
Entry Details
PCBioAssay
TargetdTDP-4-dehydrorhamnose 3,5-epimerase(Mycobacterium tuberculosis (strain CDC 1551 / Oshk...)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM45678([2-(methylamino)-2-oxidanylidene-ethyl] 2-(furan-2...)
Affinity DataIC50: 9.70E+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
TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM45678([2-(methylamino)-2-oxidanylidene-ethyl] 2-(furan-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:
5/27/2011
Entry Details
PCBioAssay