BDBM54331 4-{[4-(3-chlorophenyl)piperazin-1-yl]carbonyl}-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline::MLS000723971::SMR000305566::[4-(3-chlorophenyl)-1-piperazinyl]-[1-[4-(2-methoxyphenyl)-1-piperazinyl]-4-isoquinolinyl]methanone::[4-(3-chlorophenyl)piperazin-1-yl]-[1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinolin-4-yl]methanone::[4-(3-chlorophenyl)piperazino]-[1-[4-(2-methoxyphenyl)piperazino]-4-isoquinolyl]methanone::cid_15994066

SMILES COc1ccccc1N1CCN(CC1)c1ncc(C(=O)N2CCN(CC2)c2cccc(Cl)c2)c2ccccc12

InChI Key InChIKey=JFTBDTNRFABXAC-UHFFFAOYSA-N

Data  4 IC50  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 54331   

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

Curated by PubChem BioAssay
LigandPNGBDBM54331(4-{[4-(3-chlorophenyl)piperazin-1-yl]carbonyl}-1-[...)
Affinity DataIC50:  4.46E+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 DepthDetails PCBioAssay
TargetNucleotide-binding oligomerization domain-containing protein 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54331(4-{[4-(3-chlorophenyl)piperazin-1-yl]carbonyl}-1-[...)
Affinity DataEC50:  4.31E+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 DepthDetails PCBioAssay
TargetProtein Wnt-3a(Mus musculus)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54331(4-{[4-(3-chlorophenyl)piperazin-1-yl]carbonyl}-1-[...)
Affinity DataIC50:  1.47E+3nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetCorticotropin-releasing factor-binding protein(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54331(4-{[4-(3-chlorophenyl)piperazin-1-yl]carbonyl}-1-[...)
Affinity DataEC50: >5.30E+4nMAssay 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 DepthDetails PCBioAssay
TargetZinc finger protein GLI1(Mus musculus)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54331(4-{[4-(3-chlorophenyl)piperazin-1-yl]carbonyl}-1-[...)
Affinity DataIC50:  6.18E+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 DepthDetails PCBioAssay
TargetTumor necrosis factor(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54331(4-{[4-(3-chlorophenyl)piperazin-1-yl]carbonyl}-1-[...)
Affinity DataIC50:  5.68E+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 DepthDetails PCBioAssay