BDBM45480 (3-methylpiperidino)-(1-piazthiol-4-ylsulfonyl-3-piperidyl)methanone::MLS000521824::SMR000132232::[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-3-piperidinyl]-(3-methyl-1-piperidinyl)methanone::[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperidin-3-yl]-(3-methylpiperidin-1-yl)methanone::cid_9551219

SMILES CC1CCCN(C1)C(=O)C1CCCN(C1)S(=O)(=O)c1cccc2nsnc12

InChI Key InChIKey=KLURMKGZDDMAEC-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 45480   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45480BDBM45480(SMR000132232 | cid_9551219 | [1-(2,1,3-benzothiadi...)
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