BDBM45633 MLS000712754::N-[2,5-diethoxy-4-(3-morpholin-4-ylpropylcarbamothioylamino)phenyl]-4-methyl-benzamide::N-[2,5-diethoxy-4-(3-morpholin-4-ylpropylcarbamothioylamino)phenyl]-4-methylbenzamide::N-[2,5-diethoxy-4-(3-morpholinopropylthiocarbamoylamino)phenyl]-4-methyl-benzamide::N-[2,5-diethoxy-4-[[[3-(4-morpholinyl)propylamino]-sulfanylidenemethyl]amino]phenyl]-4-methylbenzamide::SMR000282521::cid_3170820

SMILES CCOc1cc(NC(=O)c2ccc(C)cc2)c(OCC)cc1NC(=S)NCCCN1CCOCC1

InChI Key InChIKey=HAQGYKSEKAHDRK-UHFFFAOYSA-N

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 = 45633   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45633BDBM45633(MLS000712754 | cid_3170820 | N-[2,5-diethoxy-4-(3-...)
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
TargetKallikrein-5(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45633BDBM45633(MLS000712754 | cid_3170820 | N-[2,5-diethoxy-4-(3-...)
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