BDBM45352 (4Z)-2-bromanyl-6-ethoxy-4-[(1,2,4-triazol-4-ylamino)methylidene]cyclohexa-2,5-dien-1-one::(4Z)-2-bromo-6-ethoxy-4-[(1,2,4-triazol-4-ylamino)methylene]cyclohexa-2,5-dien-1-one::(4Z)-2-bromo-6-ethoxy-4-[(1,2,4-triazol-4-ylamino)methylidene]-1-cyclohexa-2,5-dienone::(4Z)-2-bromo-6-ethoxy-4-[(1,2,4-triazol-4-ylamino)methylidene]cyclohexa-2,5-dien-1-one::MLS000056749::SMR000066376::cid_5366182

SMILES CCOc1cc(C=Nn2cnnc2)cc(Br)c1O

InChI Key InChIKey=JXFDBLZYQDOQSY-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 = 45352   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45352BDBM45352((4Z)-2-bromo-6-ethoxy-4-[(1,2,4-triazol-4-ylamino)...)
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