BDBM45390 7-(4-fluorophenyl)-2-methyl-4-(5-methyl-2-furanyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-oxolanylmethyl ester::7-(4-fluorophenyl)-5-keto-2-methyl-4-(5-methyl-2-furyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid tetrahydrofurfuryl ester::MLS000049315::SMR000075175::cid_2949330::oxolan-2-ylmethyl 7-(4-fluorophenyl)-2-methyl-4-(5-methylfuran-2-yl)-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate::oxolan-2-ylmethyl 7-(4-fluorophenyl)-2-methyl-4-(5-methylfuran-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate::tetrahydro-2-furanylmethyl 7-(4-fluorophenyl)-2-methyl-4-(5-methyl-2-furyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

SMILES CC1=NC2=C(C(=O)CC(c3ccc(F)cc3)C2)C(c2ccc(C)o2)C1C(=O)OCC1CCCO1

InChI Key InChIKey=BFMYSDAILMGSRT-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 45390   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45390BDBM45390(oxolan-2-ylmethyl 7-(4-fluorophenyl)-2-methyl-4-(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