BDBM45546 (5E)-5-[[1-(3-chloranylpropyl)-2,3-dihydroindol-5-yl]methylidene]-1-cyclopropyl-2-sulfanylidene-1,3-diazinane-4,6-dione::(5E)-5-[[1-(3-chloropropyl)-2,3-dihydroindol-5-yl]methylidene]-1-cyclopropyl-2-sulfanylidene-1,3-diazinane-4,6-dione::(5E)-5-[[1-(3-chloropropyl)indolin-5-yl]methylene]-1-cyclopropyl-2-thioxo-hexahydropyrimidine-4,6-quinone::5-[1-[1-(3-Chloro-propyl)-2,3-dihydro-1H-indol-5-yl]-meth-(E)-ylidene]-1-cyclopropyl-2-thioxo-dihydro-pyrimidine-4,6-dione::MLS000580260::SMR000220453::cid_1993471

SMILES ClCCCN1CCc2cc(\C=C3/C(=O)NC(=S)N(C4CC4)C3=O)ccc12

InChI Key InChIKey=OZVJFSDUSSGCSJ-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 45546   

LigandChemical structure of BindingDB Monomer ID 45546BDBM45546(cid_1993471 | (5E)-5-[[1-(3-chloranylpropyl)-2,3-d...)
Affinity DataIC50: 2.61E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2011
Entry Details
PCBioAssay
TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45546BDBM45546(cid_1993471 | (5E)-5-[[1-(3-chloranylpropyl)-2,3-d...)
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