BDBM54168 MLS000086124::N-(3-chlorophenyl)-N-ethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide::N-(3-chlorophenyl)-N-ethyl-1-[4-(2-pyrimidinyl)-1-piperazinyl]-4-isoquinolinecarboxamide::N-(3-chlorophenyl)-N-ethyl-1-[4-(2-pyrimidyl)piperazino]isoquinoline-4-carboxamide::SMR000021633::cid_3243207

SMILES CCN(C(=O)c1cnc(N2CCN(CC2)c2ncccn2)c2ccccc12)c1cccc(Cl)c1

InChI Key InChIKey=JHZMJULKFKFIMK-UHFFFAOYSA-N

Data  2 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 54168   

TargetNucleotide-binding oligomerization domain-containing protein 2(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54168(N-(3-chlorophenyl)-N-ethyl-1-[4-(2-pyrimidinyl)-1-...)
Affinity DataIC50: 4.17E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/5/2011
Entry Details
PCBioAssay
TargetNucleotide-binding oligomerization domain-containing protein 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54168(N-(3-chlorophenyl)-N-ethyl-1-[4-(2-pyrimidinyl)-1-...)
Affinity DataEC50:  5.39E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/8/2011
Entry Details
PCBioAssay
TargetTumor necrosis factor(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54168(N-(3-chlorophenyl)-N-ethyl-1-[4-(2-pyrimidinyl)-1-...)
Affinity DataIC50: 3.50E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/11/2011
Entry Details
PCBioAssay