BDBM45544 2-(3-phenyl-6,7-dihydro-5H-pyrrol[1,2-a]imidazol-1-ium-1-yl)-N-(4-phenylthiazol-2-yl)acetamide;chloride::2-(3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide;chloride::2-(3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)ethanamide;chloride::2-(3-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl)-N-(4-phenyl-2-thiazolyl)acetamide;chloride::3-Phenyl-1-[(4-phenyl-thiazol-2-ylcarbamoyl)-methyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium::MLS000580310::SMR000220471::cid_12005681

SMILES O=C(C[n+]1cc(-c2ccccc2)n2CCCc12)Nc1nc(cs1)-c1ccccc1

InChI Key InChIKey=KPOVWBYKXSITCX-UHFFFAOYSA-O

Data  2 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 2 hits for monomerid = 45544   

TargetKallikrein-5(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45544BDBM45544(cid_12005681 | 2-(3-phenyl-6,7-dihydro-5H-pyrrolo[...)
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:
6/8/2011
Entry Details
PCBioAssay
TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45544BDBM45544(cid_12005681 | 2-(3-phenyl-6,7-dihydro-5H-pyrrolo[...)
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