BindingDB BDBM31712 HEXACHLOROPHENE::Hexach-lorophene::MLS000028433::SMR000058356::cid

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

SMILES Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl

InChI Key InChIKey=ACGUYXCXAPNIKK-UHFFFAOYSA-N

Data 3 KI 32 IC50 6 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 31712

Heat shock cognate 71 kDa protein(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay

BDBM31712(HEXACHLOROPHENE | Hexach-lorophene | MLS000028433 ...)

IC50: 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

PDB MMDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

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Envelope glycoprotein gp160(Human immunodeficiency virus 1)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay

BDBM31712(HEXACHLOROPHENE | Hexach-lorophene | MLS000028433 ...)

IC50: 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

PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar

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KEGG MMDB PC cid PC sid PDB Patents Similars

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Envelope glycoprotein gp160(Human immunodeficiency virus 1)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay

BDBM31712(HEXACHLOROPHENE | Hexach-lorophene | MLS000028433 ...)

IC50: 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

PDB MMDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar

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Heat shock 70 kDa protein 1A(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay

BDBM31712(HEXACHLOROPHENE | Hexach-lorophene | MLS000028433 ...)

IC50: 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

PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar

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KEGG MMDB PC cid PC sid PDB Patents Similars

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Heat shock 70 kDa protein 1A(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay

BDBM31712(HEXACHLOROPHENE | Hexach-lorophene | MLS000028433 ...)

IC50: 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

PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar

Purchase DrugBank MCE
KEGG MMDB PC cid PC sid PDB Patents Similars

Details PCBioAssay

Filter my 40 hits

Targets 27▿
- Replicase polyprotein 1ab 5
- Macrophage migration inhibitory factor 3
- Endoplasmic reticulum chaperone BiP 3
- Transitional endoplasmic reticulum ATPase 2
- Heat shock 70 kDa protein 1A 2
- Co-chaperonin GroES 2
- N-acyl-phosphatidylethanolamine-hydrolyzing phospholipase D 2
- Envelope glycoprotein gp160 2
- Estrogen receptor 1
- Glycoprotein 42 1
- Zinc finger protein mex-5 1
- Thiosulfate sulfurtransferase 1
- RecBCD enzyme subunit RecD 1
- Neuropeptide Y receptor type 1 1
- Eukaryotic translation initiation factor 4 gamma 1 1
- Chaperonin GroEL 1
- Neuropeptide Y receptor type 2 1
- Plasminogen activator inhibitor 1 1
- 60 kDa heat shock protein, mitochondrial 1
- M1 family aminopeptidase 1
- Induced myeloid leukemia cell differentiation protein Mcl-1 1
- POsterior Segregation 1
- Heat shock cognate 71 kDa protein 1
- Streptokinase A 1
- Large T antigen 1
- Replicase polyprotein 1a 1
- Estrogen receptor beta 1
Publications 30▿
- Bioorg Med Chem Lett 29: 1106-1112 (2019) 5
- Bioorg Med Chem Lett 29: 1689-1693 (2019) 3
- J Med Chem 64: 481-515 (2021) 2
- J Med Chem 61: 8104-8119 (2018) 2
- bioRxiv (2020) 2
- J Med Chem 64: 16922-16955 (2021) 2
- PubChem Bioassay (2008) 1
- PubChem Bioassay (2008) 1
- PubChem Bioassay (2009) 1
- J Biol Chem 285: 7892-902 (2010) 1
- PubChem Bioassay (2009) 1
- PubChem Bioassay (2010) 1
- PubChem Bioassay (2008) 1
- PubChem Bioassay (2009) 1
- PubChem Bioassay (2009) 1
- PubChem Bioassay (2010) 1
- PubChem Bioassay (2008) 1
- PubChem Bioassay (2010) 1
- PubChem Bioassay (2009) 1
- PubChem Bioassay (2009) 1
- PubChem Bioassay (2008) 1
- PubChem Bioassay (2008) 1
- Biochem Biophys Res Commun 333: 194-9 (2005) 1
- Antimicrob Agents Chemother 64: (2020) 1
- PubChem Bioassay (2009) 1
- PubChem Bioassay (2007) 1
- PubChem Bioassay (2009) 1
- J Biol Chem 285: 26581-98 (2010) 1
- PubChem Bioassay (2013) 1
- PubChem Bioassay (2007) 1
Institutions 16▿
- Indiana University School Of Medicine 5
- Burnham Center For Chemical Genomics 5
- Emory University 5
- The Scripps Research Institute Molecular Screening Center 5
- Broad Institute 3
- University Of Arizona 3
- Yale University 2
- Michigan State University 2
- Leiden University And Oncode Institute 2
- National Institutes of Health 2
- University of Michigan 1
- National Taiwan University 1
- Srmlsc 1
- Southern Research Specialized Biocontainment Screening Center 1
- Institut Pasteur Korea 1
- Ecole Polytechnique FÉDÉRale De Lausanne 1
Affinity: 98 to 1.5E+5 nM▿
- Ki 3
- IC50 32
- EC50 6
- Affinity ≤ nM
Xtal structures: 0
Docked structures: 0
Catalog Cmpds: 1