BDBM33552 MLS000087084::N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-5-(3-methoxyphenyl)isoxazole-3-carboxamide::N-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-5-(3-methoxyphenyl)isoxazole-3-carboxamide::N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide::N-[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]-5-(3-methoxyphenyl)-3-isoxazolecarboxamide::N-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide::SMR000023307::cid_3238878

SMILES COc1cccc(c1)-c1cc(no1)C(=O)Nc1c(C)nn(Cc2ccccc2)c1C

InChI Key InChIKey=YUUDDSDSKCWRRW-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 = 33552   

TargetSphingosine 1-phosphate receptor 3(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM33552(SMR000023307 | cid_3238878 | N-(1-benzyl-3,5-dimet...)
Affinity DataIC50: 3.44E+4nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/29/2011
Entry Details
PCBioAssay
TargetProthrombin(Human)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33552(SMR000023307 | cid_3238878 | N-(1-benzyl-3,5-dimet...)
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
LigandPNGBDBM33552(SMR000023307 | cid_3238878 | N-(1-benzyl-3,5-dimet...)
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