BDBM45394 2,7,7-trimethyl-4-(5-methyl-2-furanyl)-N-(4-methylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide::2,7,7-trimethyl-4-(5-methyl-2-furyl)-N-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide::2,7,7-trimethyl-4-(5-methylfuran-2-yl)-N-(4-methylphenyl)-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxamide::2,7,7-trimethyl-4-(5-methylfuran-2-yl)-N-(4-methylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide::5-keto-2,7,7-trimethyl-4-(5-methyl-2-furyl)-N-(p-tolyl)-1,4,6,8-tetrahydroquinoline-3-carboxamide::MLS000049301::SMR000075143::cid_2949152

SMILES CC1=C(C(=O)Nc2ccc(C)cc2)C(c2ccc(C)o2)C2C(=O)CC(C)(C)CC2=N1

InChI Key InChIKey=WFJKPVCDYXVPPB-UHFFFAOYSA-N

Data  1 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 45394   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45394BDBM45394(MLS000049301 | 2,7,7-trimethyl-4-(5-methylfuran-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