BDBM54272 2-chloranyl-1-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone::2-chloro-1-[3-(2-furyl)-5-(2-thienyl)-2-pyrazolin-1-yl]ethanone::2-chloro-1-[5-(2-furanyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone::2-chloro-1-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone::MLS000336271::SMR000253825::acs.jmedchem.1c00409_ST.392::cid_4961662

SMILES ClCC(=O)N1N=C(CC1c1cccs1)c1ccco1

InChI Key InChIKey=ZBZGUXCOHGXIRI-UHFFFAOYSA-N

Data  5 IC50  1 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 = 54272   

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

Curated by PubChem BioAssay
LigandPNGBDBM54272(2-chloranyl-1-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-...)
Affinity DataIC50: 4.77E+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
LigandPNGBDBM54272(2-chloranyl-1-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-...)
Affinity DataEC50:  7.24E+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
LigandPNGBDBM54272(2-chloranyl-1-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-...)
Affinity DataIC50: 5.32E+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
TargetNuclear receptor coactivator 3(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM54272(2-chloranyl-1-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-...)
Affinity DataIC50: 694nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2012
Entry Details
PCBioAssay
TargetNuclear receptor coactivator 1(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM54272(2-chloranyl-1-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-...)
Affinity DataIC50: 443nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/19/2012
Entry Details
PCBioAssay
TargetReplicase polyprotein 1ab(2019-nCoV)
Michigan State University

LigandPNGBDBM54272(2-chloranyl-1-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-...)
Affinity DataIC50: 4.64E+4nMAssay Description:This is a review article. Please point to the original journal.More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/27/2022
Entry Details Article
PubMed