BDBM31712 HEXACHLOROPHENE::Hexach-lorophene::MLS000028433::SMR000058356::cid_3598

SMILES c1c(c(c(c(c1Cl)Cl)Cc2c(c(cc(c2Cl)Cl)Cl)O)O)Cl

InChI Key InChIKey=ACGUYXCXAPNIKK-UHFFFAOYSA-N

Data  3 KI  34 IC50  6 EC50

PDB links: 1 PDB ID matches this monomer.

  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 39 hits for monomerid = 31712   

TargetEstrogen receptor beta(Human)
Emory University

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 31712BDBM31712(SMR000058356 | MLS000028433 | cid_3598 | HEXACHLOR...)
Affinity DataIC50: 98.3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2011
Entry Details
PCBioAssay
TargetReplicase polyprotein 1ab(2019-nCoV)
National Institutes of Health

LigandChemical structure of BindingDB Monomer ID 31712BDBM31712(SMR000058356 | MLS000028433 | cid_3598 | HEXACHLOR...)
Affinity DataEC50:  790nMAssay Description:SARS-CoV-2 CPE assay was conducted at Southern Research Institute (Birmingham, AL) as described in previous reports30, 31. In brief, high ACE2 expres...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/21/2020
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
National Institutes of Health

LigandChemical structure of BindingDB Monomer ID 31712BDBM31712(SMR000058356 | MLS000028433 | cid_3598 | HEXACHLOR...)
Affinity DataIC50: 900nMAssay Description:Ten-point DRCs were generated for each drug. Vero cells were seeded at 1.2 × 104 cells per well in DMEM, supplemented with 2% FBS and 1× ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/13/2020
Entry Details Article
PubMed
Target60 kDa heat shock protein, mitochondrial(Human)
Indiana University School of Medicine

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 31712BDBM31712(SMR000058356 | MLS000028433 | cid_3598 | HEXACHLOR...)
Affinity DataIC50: 1.30E+3nMAssay Description:Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia coli Rosetta(DE3) pLysS/human HSP10 expressed in Escherichia coli Roset...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University School of Medicine

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 31712BDBM31712(SMR000058356 | MLS000028433 | cid_3598 | HEXACHLOR...)
Affinity DataIC50: 1.40E+3nMAssay Description:Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
TargetN-acyl-phosphatidylethanolamine-hydrolyzing phospholipase D(Human)
Leiden University and Oncode Institute

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 31712BDBM31712(SMR000058356 | MLS000028433 | cid_3598 | HEXACHLOR...)
Affinity DataIC50: 1.60E+3nMAssay Description:Inhibition of full length human NAPE-PLD expressed in HEK293T cell lysate using PED6 as substrate preincubated for 30 mins followed by substrate addi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
TargetEstrogen receptor(Human)
Emory University

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 31712BDBM31712(SMR000058356 | MLS000028433 | cid_3598 | HEXACHLOR...)
Affinity DataIC50: 2.16E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/6/2011
Entry Details
PCBioAssay
TargetEnvelope glycoprotein gp160(Human immunodeficiency virus type 1)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 31712BDBM31712(SMR000058356 | MLS000028433 | cid_3598 | HEXACHLOR...)
Affinity DataIC50: 2.20E+3nMAssay Description:Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/31/2011
Entry Details
PCBioAssay
TargetPlasminogen activator inhibitor 1(Human)
University of Michigan

LigandChemical structure of BindingDB Monomer ID 31712BDBM31712(SMR000058356 | MLS000028433 | cid_3598 | HEXACHLOR...)
Affinity DataIC50: 3.80E+3nMpH: 7.8 T: 2°CAssay Description:Enzyme activity assay using human and murine PAI-1.More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/2/2012
Entry Details Article
PubMed
TargetReplicase polyprotein 1a(SARS-CoV)
National Taiwan University

LigandChemical structure of BindingDB Monomer ID 31712BDBM31712(SMR000058356 | MLS000028433 | cid_3598 | HEXACHLOR...)
Affinity DataKi:  4.00E+3nMAssay Description:Kinetic parameters were obtained using various concentrations of FRET peptide in the fluorescent assay. The maximal velocity (Vmax) and Michaelis Men...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/21/2020
Entry Details Article
PubMed
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University School of Medicine

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 31712BDBM31712(SMR000058356 | MLS000028433 | cid_3598 | HEXACHLOR...)
Affinity DataIC50: 4.70E+3nMAssay Description:Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
TargetPlatelet-derived growth factor receptor alpha/beta(Mouse)
Sichuan University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 31712BDBM31712(SMR000058356 | MLS000028433 | cid_3598 | HEXACHLOR...)
Affinity DataIC50: 4.90E+3nMAssay Description:Inhibition of N-terminal His6-SUMO-tagged Mtb ClpP1 (7 to 200 residues)/ClpP2 (13 to 214 residues) complex expressed in Escherichia coli BL21(DE3) us...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/21/2024
Entry Details
PubMed
TargetEnvelope glycoprotein gp160(Human immunodeficiency virus type 1)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 31712BDBM31712(SMR000058356 | MLS000028433 | cid_3598 | HEXACHLOR...)
Affinity DataIC50: 4.94E+3nMAssay Description:Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Networ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/30/2011
Entry Details
PCBioAssay
TargetTransitional endoplasmic reticulum ATPase(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 31712BDBM31712(SMR000058356 | MLS000028433 | cid_3598 | HEXACHLOR...)
Affinity DataIC50: 5.49E+3nMAssay Description:Source (MLPCN 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
TargetMacrophage migration inhibitory factor(Human)
Ecole Polytechnique FÉDÉRale De Lausanne

LigandChemical structure of BindingDB Monomer ID 31712BDBM31712(SMR000058356 | MLS000028433 | cid_3598 | HEXACHLOR...)
Affinity DataKi:  5.55E+3nM IC50: 6.00E+3nMpH: 6.5Assay Description:The assay principle is based on measuring the absorbance of D-dopachrome methyl ester (red), which is transformed by enzymatically active MIF to the ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/17/2012
Entry Details Article
PubMed
TargetMacrophage migration inhibitory factor(Human)
Ecole Polytechnique FÉDÉRale De Lausanne

LigandChemical structure of BindingDB Monomer ID 31712BDBM31712(SMR000058356 | MLS000028433 | cid_3598 | HEXACHLOR...)
Affinity DataKi:  5.55E+3nMAssay Description:Inhibition of recombinant human MIF tautomerization expressed in Escherichia coli BL21/DE3 using HPP as substrate preincubated for 15 mins followed b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetGlycoprotein 42(HHV-4)
Emory University

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 31712BDBM31712(SMR000058356 | MLS000028433 | cid_3598 | HEXACHLOR...)
Affinity DataIC50: 5.59E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Theodore Jardetzky; Northw...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2011
Entry Details
PCBioAssay
TargetMacrophage migration inhibitory factor(Human)
Ecole Polytechnique FÉDÉRale De Lausanne

LigandChemical structure of BindingDB Monomer ID 31712BDBM31712(SMR000058356 | MLS000028433 | cid_3598 | HEXACHLOR...)
Affinity DataIC50: 6.00E+3nMAssay Description:Inhibition of recombinant human MIF tautomerization expressed in Escherichia coli BL21/DE3 using dopa as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetEndoplasmic reticulum chaperone BiP(Human)
University of Arizona

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 31712BDBM31712(SMR000058356 | MLS000028433 | cid_3598 | HEXACHLOR...)
Affinity DataIC50: 9.10E+3nMAssay Description:Inhibition of GRP78 (26 to 636 residues) (unknown origin) expressed in Escherichia coli BL21 DE3 cells pre-incubated for 10 mins before FITC-NRLLLTG ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
TargetEndoplasmic reticulum chaperone BiP(Human)
University of Arizona

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 31712BDBM31712(SMR000058356 | MLS000028433 | cid_3598 | HEXACHLOR...)
Affinity DataIC50: 9.10E+3nMAssay Description:Inhibition of GRP78 (26 to 636 residues) (unknown origin) expressed in Escherichia coli BL21 DE3 cells pre-incubated for 10 mins before FITC-NRLLLTG ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
TargetEndoplasmic reticulum chaperone BiP(Human)
University of Arizona

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 31712BDBM31712(SMR000058356 | MLS000028433 | cid_3598 | HEXACHLOR...)
Affinity DataIC50: 9.10E+3nMAssay Description:Inhibition of GRP78 (unknown origin) by FP assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetEndoplasmic reticulum chaperone BiP(Human)
University of Arizona

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 31712BDBM31712(SMR000058356 | MLS000028433 | cid_3598 | HEXACHLOR...)
Affinity DataIC50: 9.10E+3nMAssay Description:Inhibition of GRP78 (26 to 636 residues) (unknown origin) expressed in Escherichia coli BL21 DE3 cells pre-incubated for 10 mins before FITC-NRLLLTG ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
TargetN-acyl-phosphatidylethanolamine-hydrolyzing phospholipase D(Mouse)
Leiden University and Oncode Institute

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 31712BDBM31712(SMR000058356 | MLS000028433 | cid_3598 | HEXACHLOR...)
Affinity DataIC50: 1.10E+4nMAssay Description:Inhibition of full length mouse NAPE-PLD expressed in HEK293T cell lysate using PED6 as substrate preincubated for 30 mins followed by substrate addi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
TargetReplicase polyprotein 1ab(SARS-CoV)
Michigan State University

LigandChemical structure of BindingDB Monomer ID 31712BDBM31712(SMR000058356 | MLS000028433 | cid_3598 | HEXACHLOR...)
Affinity DataIC50: 1.37E+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
LigandChemical structure of BindingDB Monomer ID 31712BDBM31712(SMR000058356 | MLS000028433 | cid_3598 | HEXACHLOR...)
Affinity DataIC50: 1.48E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2011
Entry Details
PCBioAssay
LigandChemical structure of BindingDB Monomer ID 31712BDBM31712(SMR000058356 | MLS000028433 | cid_3598 | HEXACHLOR...)
Affinity DataIC50: 1.79E+4nMAssay Description:Dose Response Confirmation for Small Molecule Inhibitors of Eukaryotic Translation Initiation NIH Molecular Libraries Screening Centers Network [MLSC...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2011
Entry Details
PCBioAssay
TargetZinc finger protein mex-5(Caenorhabditis elegans)
Broad Institute

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 31712BDBM31712(SMR000058356 | MLS000028433 | cid_3598 | HEXACHLOR...)
Affinity DataEC50:  1.91E+4nMAssay Description:Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/1/2011
Entry Details
PCBioAssay
TargetHeat shock 70 kDa protein 1A(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 31712BDBM31712(SMR000058356 | MLS000028433 | cid_3598 | HEXACHLOR...)
Affinity DataIC50: 1.92E+4nMAssay Description:Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/11/2011
Entry Details
PCBioAssay
TargetHeat shock 70 kDa protein 1A(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 31712BDBM31712(SMR000058356 | MLS000028433 | cid_3598 | HEXACHLOR...)
Affinity DataIC50: 1.95E+4nMpH: 7.0 T: 2°CAssay Description:Burnham Center for Chemical Genomics (BCCG) Burnham Institute for Medical Research (San Diego, CA) NIH Molecular Libraries Screening Centers Network ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/25/2009
Entry Details
PCBioAssay
TargetReplicase polyprotein 1ab(2019-nCoV)
National Institutes of Health

LigandChemical structure of BindingDB Monomer ID 31712BDBM31712(SMR000058356 | MLS000028433 | cid_3598 | HEXACHLOR...)
Affinity DataIC50: 2.15E+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
TargetReplicase polyprotein 1ab(2019-nCoV)
National Institutes of Health

LigandChemical structure of BindingDB Monomer ID 31712BDBM31712(SMR000058356 | MLS000028433 | cid_3598 | HEXACHLOR...)
Affinity DataIC50: 2.15E+4nMAssay Description:The 3CLpro enzyme assay was developed in 384-well black, medium binding microplates (Greiner Bio-One, Monroe, NC, USA) with a total volume of 20 _...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/21/2020
Entry Details Article
PubMed
TargetHeat shock cognate 71 kDa protein(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 31712BDBM31712(SMR000058356 | MLS000028433 | cid_3598 | HEXACHLOR...)
Affinity DataIC50: 2.74E+4nMAssay Description:Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/4/2011
Entry Details
PCBioAssay
TargetLarge T antigen(SV40)
Southern Research Specialized Biocontainment Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 31712BDBM31712(SMR000058356 | MLS000028433 | cid_3598 | HEXACHLOR...)
Affinity DataIC50: 3.45E+4nMAssay Description:Southern Research's Specialized Biocontainment Screening Center (SRSBSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Librarie...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/1/2011
Entry Details
PCBioAssay
TargetPOsterior Segregation(Caenorhabditis elegans)
Broad Institute

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 31712BDBM31712(SMR000058356 | MLS000028433 | cid_3598 | HEXACHLOR...)
Affinity DataEC50:  4.54E+4nMAssay Description:Broad Institute: MLPCN maternal gene expression Project ID: 2024 Keywords: Zinc finger, C. elegans, maternal gene expression, RNA-protein interac...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/1/2011
Entry Details
PCBioAssay
TargetTransitional endoplasmic reticulum ATPase(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 31712BDBM31712(SMR000058356 | MLS000028433 | cid_3598 | HEXACHLOR...)
Affinity DataIC50: 5.00E+4nMAssay Description:Source (MLPCN 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
TargetThiosulfate sulfurtransferase(Human)
Indiana University School of Medicine

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 31712BDBM31712(SMR000058356 | MLS000028433 | cid_3598 | HEXACHLOR...)
Affinity DataIC50: 5.10E+4nMAssay Description:Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
TargetM1 family aminopeptidase(Plasmodium falciparum (isolate FcB1 / Columbia))
Srmlsc

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 31712BDBM31712(SMR000058356 | MLS000028433 | cid_3598 | HEXACHLOR...)
Affinity DataIC50: 5.80E+4nMAssay Description:Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/4/2011
Entry Details
PCBioAssay
TargetStreptokinase A(Streptococcus pyogenes M1 GAS)
Broad Institute

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 31712BDBM31712(SMR000058356 | MLS000028433 | cid_3598 | HEXACHLOR...)
Affinity DataEC50:  1.50E+5nMAssay Description:Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/8/2011
Entry Details
PCBioAssay
TargetChaperonin GroEL(Escherichia coli)
Indiana University School of Medicine

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 31712BDBM31712(SMR000058356 | MLS000028433 | cid_3598 | HEXACHLOR...)
Affinity DataIC50: 1.53E+5nMAssay Description:Inhibition of ATPase activity of Escherichia coli GroEL expressed in Escherichia coliDH5alpha incubated for 60 mins using ATP by spectrometric analys...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed