BDBM45584 (6Z)-6-[(2,5-dimethyl-1H-indol-3-yl)methylene]-5-imino-3-(methylthio)-5,6-dihydro-7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one::5-amino-6-[(Z)-(2,5-dimethyl-3-indolylidene)methyl]-3-(methylthio)-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one::5-amino-6-[(Z)-(2,5-dimethylindol-3-ylidene)methyl]-3-(methylthio)-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one::5-amino-6-[(Z)-(2,5-dimethylindol-3-ylidene)methyl]-3-methylsulfanyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one::5-azanyl-6-[(Z)-(2,5-dimethylindol-3-ylidene)methyl]-3-methylsulfanyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one::MLS000729912::SMR000308189::cid_16187613

SMILES CSc1nsc2nc(=O)c(\C=C3/C(C)=Nc4ccc(C)cc34)c(N)n12

InChI Key InChIKey=GIHBZAMJFMGKFQ-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 = 45584   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45584BDBM45584(5-amino-6-[(Z)-(2,5-dimethyl-3-indolylidene)methyl...)
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