BDBM45718 3-(3,5-Dimethyl-1H-pyrazol-4-yl)-propionic acid [1-thiophen-2-yl-meth-(E)-ylidene]-hydrazide::3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-thenylideneamino)propionamide::3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(thiophen-2-ylmethylideneamino)propanamide::MLS000769023::SMR000433748::cid_687634

SMILES Cc1n[nH]c(C)c1CCC(=O)NN=Cc1cccs1

InChI Key InChIKey=VODBTUMWVHMUGD-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 = 45718   

TargetCoagulation factor XII(Human)
Pcmd

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 45718BDBM45718(MLS000769023 | 3-(3,5-Dimethyl-1H-pyrazol-4-yl)-pr...)
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 45718BDBM45718(MLS000769023 | 3-(3,5-Dimethyl-1H-pyrazol-4-yl)-pr...)
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