BDBM45646 3-[2,4-bis(oxidanylidene)-1-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl]quinazolin-3-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide::3-[2,4-diketo-1-[2-keto-2-(tetrahydrofurfurylamino)ethyl]quinazolin-3-yl]-N-homoveratryl-propionamide::MLS000730447::N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2,4-dioxo-1-[2-oxo-2-(2-oxolanylmethylamino)ethyl]-3-quinazolinyl]propanamide::N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2,4-dioxo-1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]quinazolin-3-yl]propanamide::N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2,4-dioxo-1-{2-oxo-2-[(tetrahydrofuran-2-ylmethyl)amino]ethyl}-1,4-dihydroquinazolin-3(2H)-yl]propanamide::SMR000308723::cid_16193496

SMILES COc1ccc(CCNC(=O)CCn2c(=O)n(CC(=O)NCC3CCCO3)c3ccccc3c2=O)cc1OC

InChI Key InChIKey=YTTBYIGPMXFNNH-UHFFFAOYSA-N

Data  1 IC50

  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 = 45646   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45646BDBM45646(N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2,4-dioxo-1-[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