BDBM50247212 CHEMBL516029::cid_2999799::ethyl 1-(3-(1-cyano-2-ethoxy-2-oxoethyl)quinoxalin-2-yl)piperidine-3-carboxylate

SMILES CCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCCC(C1)C(=O)OCC

InChI Key InChIKey=WJHMSNNJLVHLAU-UHFFFAOYSA-N

Data  2 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50247212   

TargetD(1A) dopamine receptor(Human)
Vanderbilt Screening Center For Gpcrs, Ion Channels and Transporters

Curated by PubChem BioAssay
LigandPNGBDBM50247212(CHEMBL516029 | cid_2999799 | ethyl 1-(3-(1-cyano-2...)
Affinity DataEC50:  0.0161nMAssay Description:Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2011
Entry Details
PCBioAssay
TargetCollagenase 3(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50247212(CHEMBL516029 | cid_2999799 | ethyl 1-(3-(1-cyano-2...)
Affinity DataIC50: 1.33E+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:
5/6/2011
Entry Details
PCBioAssay
TargetCollagenase 3(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50247212(CHEMBL516029 | cid_2999799 | ethyl 1-(3-(1-cyano-2...)
Affinity DataIC50: 1.33E+4nMAssay Description:Inhibition of human recombinant MMP13 expressed in Escherichia coliMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2012
Entry Details Article
PubMed