BDBM41612 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide::4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-morpholinosulfonylphenyl)benzamide::4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide::4-(3,4-dihydro-2(1H)-isoquinolinylmethyl)-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide::MLS000580544::SMR000199432::cid_1288978

SMILES O=C(Nc1ccc(cc1)S(=O)(=O)N1CCOCC1)c1ccc(CN2CCc3ccccc3C2)cc1

InChI Key InChIKey=WGQPJPGVHXXIAT-UHFFFAOYSA-N

Data  7 IC50

  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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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 41612   

TargetSphingosine 1-phosphate receptor 2(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM41612(MLS000580544 | 4-(3,4-dihydro-1H-isoquinolin-2-ylm...)
Affinity DataIC50: 3.77E+3nMAssay 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:
5/12/2011
Entry Details
PCBioAssay
TargetSphingosine 1-phosphate receptor 2(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM41612(MLS000580544 | 4-(3,4-dihydro-1H-isoquinolin-2-ylm...)
Affinity DataIC50: 773nMAssay 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:
5/28/2011
Entry Details
PCBioAssay
TargetNucleotide-binding oligomerization domain-containing protein 1(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM41612(MLS000580544 | 4-(3,4-dihydro-1H-isoquinolin-2-ylm...)
Affinity DataIC50: 347nMAssay 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:
7/9/2011
Entry Details
PCBioAssay
TargetTumor necrosis factor(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM41612(MLS000580544 | 4-(3,4-dihydro-1H-isoquinolin-2-ylm...)
Affinity DataIC50: 627nMAssay 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:
7/9/2011
Entry Details
PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mouse)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM41612(MLS000580544 | 4-(3,4-dihydro-1H-isoquinolin-2-ylm...)
Affinity DataIC50: 3.04E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/12/2011
Entry Details
PCBioAssay
TargetX-box-binding protein 1(Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM41612(MLS000580544 | 4-(3,4-dihydro-1H-isoquinolin-2-ylm...)
Affinity DataIC50: 1.00E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay
TargetDNA damage-inducible transcript 3 protein(Mouse)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM41612(MLS000580544 | 4-(3,4-dihydro-1H-isoquinolin-2-ylm...)
Affinity DataIC50: 3.04E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay