BDBM54164 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide::4-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide::MLS000086339::SMR000021841::cid_2158953

SMILES COc1ccc(cc1)-c1nnc(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCc3ccccc3C2)o1

InChI Key InChIKey=NYQBHBXODXDEOK-UHFFFAOYSA-N

Data  2 IC50  5 EC50

  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 7 hits for monomerid = 54164   

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

Curated by PubChem BioAssay
LigandPNGBDBM54164(4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[5-(...)
Affinity DataIC50:  1.96E+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
TargetNucleotide-binding oligomerization domain-containing protein 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM54164(4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[5-(...)
Affinity DataEC50:  2.00E+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
TargetATP-dependent molecular chaperone HSP82(Candida albicans)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM54164(4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[5-(...)
Affinity DataEC50: >1.50E+5nMAssay Description:Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, stress response Primary Collaborators: Susan Lindquist, Whitehead Insti...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
LigandPNGBDBM54164(4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[5-(...)
Affinity DataIC50:  2.00E+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
TargetATP-dependent molecular chaperone HSP82(Candida albicans)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM54164(4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[5-(...)
Affinity DataEC50: >1.50E+5nMAssay Description:Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, stress response Assay Overview: Method for determining if compound acts as Hsp90 inh...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetATP-dependent molecular chaperone HSP82(Candida albicans)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM54164(4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[5-(...)
Affinity DataEC50:  747nMAssay Description:Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSerine/threonine-protein phosphatase(Candida dubliniensis CD36)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM54164(4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[5-(...)
Affinity DataEC50:  1.80E+5nMAssay Description:Keywords: Candida albicans, drug resistance, Fluconazole, calcineurin, stress response Assay Overview: Method for determining if compound acts as Ca...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay