BDBM32866 1-[(4-methyl-3-nitro-phenyl)methylideneamino]-3-prop-2-enyl-thiourea::1-[(4-methyl-3-nitrophenyl)methylideneamino]-3-prop-2-enylthiourea::1-allyl-3-[(4-methyl-3-nitro-benzylidene)amino]thiourea::3-nitro-4-methylbenzaldehyde N-prop-2-enylthiosemicarbazone::MLS000703798::SMR000228955::cid_3340196

SMILES Cc1ccc([CH+][N-]NC(=S)NCC=C)cc1[N+]([O-])=O

InChI Key InChIKey=WCVAWUUACBCEBY-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 32866   

TargetKallikrein-5(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 32866BDBM32866(SMR000228955 | 3-nitro-4-methylbenzaldehyde N-prop...)
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 XI(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 32866BDBM32866(SMR000228955 | 3-nitro-4-methylbenzaldehyde N-prop...)
Affinity DataIC50: 5.00E+4nMpH: 7.4 T: 2°CAssay Description:Factor XIa (0.23 ug/mL) was incubated with Boc-Glu-Ala-Arg-AMC substrate (15 uM) in 10 uL of assay buffer for 2 hr at room temperature. Read fluoresc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/26/2009
Entry Details
PCBioAssay
TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 32866BDBM32866(SMR000228955 | 3-nitro-4-methylbenzaldehyde N-prop...)
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