BDBM45409 2-[[5-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester::2-[[5-(3-chloro-6-methoxy-benzothiophen-2-yl)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester::MLS000096899::SMR000074647::cid_1303890::methyl 2-[[5-(3-chloranyl-6-methoxy-1-benzothiophen-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate::methyl 2-[[5-(3-chloro-6-methoxy-1-benzothiophen-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate::methyl {[5-(3-chloro-6-methoxy-1-benzothien-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}acetate

SMILES COC(=O)CSc1nnc(-c2sc3cc(OC)ccc3c2Cl)n1C

InChI Key InChIKey=PFIWHBHLHHZXNR-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 = 45409   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45409BDBM45409(cid_1303890 | methyl 2-[[5-(3-chloro-6-methoxy-1-b...)
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