BDBM33602 MLS000117044::N-[2-(1-cyclohexenyl)ethyl]-1-[(1,3,5-trimethyl-4-pyrazolyl)sulfonyl]-4-piperidinecarboxamide::N-[2-(cyclohexen-1-yl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-isonipecotamide::N-[2-(cyclohexen-1-yl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-piperidine-4-carboxamide::N-[2-(cyclohexen-1-yl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide::SMR000093998::cid_5308059

SMILES Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(CC1)C(=O)NCCC1=CCCCC1

InChI Key InChIKey=GADXWBJJAUFVDI-UHFFFAOYSA-N

Data  3 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 33602   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 33602BDBM33602(N-[2-(cyclohexen-1-yl)ethyl]-1-(1,3,5-trimethylpyr...)
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
TargetProthrombin(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 33602BDBM33602(N-[2-(cyclohexen-1-yl)ethyl]-1-(1,3,5-trimethylpyr...)
Affinity DataIC50: 5.00E+4nMpH: 7.5 T: 2°CAssay Description:HTS was performed using 217,350 compounds of the MLSCN library individually plated into 10ul 1536 compound plates at a concentration of 2.5 mM each, ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/9/2009
Entry Details
PCBioAssay
TargetKallikrein-5(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 33602BDBM33602(N-[2-(cyclohexen-1-yl)ethyl]-1-(1,3,5-trimethylpyr...)
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