BDBM45459 7-(2-furanyl)-2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-oxolanylmethyl ester::7-(2-furyl)-5-keto-2-methyl-4-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid tetrahydrofurfuryl ester::MLS000594206::SMR000143225::cid_2949359::oxolan-2-ylmethyl 7-(furan-2-yl)-2-methyl-5-oxidanylidene-4-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate::oxolan-2-ylmethyl 7-(furan-2-yl)-2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate::tetrahydro-2-furanylmethyl 7-(2-furyl)-2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

SMILES CC1=NC2=C(C(=O)CC(c3ccco3)C2)C(c2cccc(C(F)(F)F)c2)C1C(=O)OCC1CCCO1

InChI Key InChIKey=GBBKRROPOLNZNI-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 45459   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45459BDBM45459(tetrahydro-2-furanylmethyl 7-(2-furyl)-2-methyl-5-...)
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