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BDBM32188 CLIOQUINOL::Clioquinol (CQ)::TG2-36-2::cid_2788

SMILES: Oc1c(I)cc(Cl)c2cccnc12

InChI Key: InChIKey=QCDFBFJGMNKBDO-UHFFFAOYSA-N

Data: 1 KI  17 IC50  2 EC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 32188   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 15


(Mus musculus)
BDBM32188
PNG
(CLIOQUINOL | Clioquinol (CQ) | TG2-36-2 | cid_2788)
Show SMILES Oc1c(I)cc(Cl)c2cccnc12
Show InChI InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
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2.33E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant carbonic anhydrase 15 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 18: 3593-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.077
BindingDB Entry DOI: 10.7270/Q2XP75TC
More data for this
Ligand-Target Pair
LAP4


(Saccharomyces cerevisiae)
BDBM32188
PNG
(CLIOQUINOL | Clioquinol (CQ) | TG2-36-2 | cid_2788)
Show SMILES Oc1c(I)cc(Cl)c2cccnc12
Show InChI InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
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n/an/an/an/a 986n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q21R6P02
More data for this
Ligand-Target Pair
MEP2


(Saccharomyces cerevisiae)
BDBM32188
PNG
(CLIOQUINOL | Clioquinol (CQ) | TG2-36-2 | cid_2788)
Show SMILES Oc1c(I)cc(Cl)c2cccnc12
Show InChI InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
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n/an/an/an/a 3.37E+8n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1R03 MH086450-01 Project Title: Chemical Screen of TOR pathway GFP fusion proteins in S. ...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2MW2FMC
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM32188
PNG
(CLIOQUINOL | Clioquinol (CQ) | TG2-36-2 | cid_2788)
Show SMILES Oc1c(I)cc(Cl)c2cccnc12
Show InChI InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
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n/an/a 1.06E+5n/an/an/an/a8.0n/a



Soochow University



Assay Description
Briefly, recombinant HDACs and substrates were diluted in reaction buffer (50 mM Tris-HCl, pH 8.0, 137 mM NaCl, 2.7mM KCl, 1mM MgCl2, 1 mg/ml BSA, 1%...


J Biol Chem 288: 34181-9 (2013)


Article DOI: 10.1074/jbc.M113.472563
BindingDB Entry DOI: 10.7270/Q2668C1K
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM32188
PNG
(CLIOQUINOL | Clioquinol (CQ) | TG2-36-2 | cid_2788)
Show SMILES Oc1c(I)cc(Cl)c2cccnc12
Show InChI InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
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n/an/a 1.16E+5n/an/an/an/a8.0n/a



Soochow University



Assay Description
Briefly, recombinant HDACs and substrates were diluted in reaction buffer (50 mM Tris-HCl, pH 8.0, 137 mM NaCl, 2.7mM KCl, 1mM MgCl2, 1 mg/ml BSA, 1%...


J Biol Chem 288: 34181-9 (2013)


Article DOI: 10.1074/jbc.M113.472563
BindingDB Entry DOI: 10.7270/Q2668C1K
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM32188
PNG
(CLIOQUINOL | Clioquinol (CQ) | TG2-36-2 | cid_2788)
Show SMILES Oc1c(I)cc(Cl)c2cccnc12
Show InChI InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
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n/an/a 2.07E+4n/an/an/an/a8.0n/a



Soochow University



Assay Description
Briefly, recombinant HDACs and substrates were diluted in reaction buffer (50 mM Tris-HCl, pH 8.0, 137 mM NaCl, 2.7mM KCl, 1mM MgCl2, 1 mg/ml BSA, 1%...


J Biol Chem 288: 34181-9 (2013)


Article DOI: 10.1074/jbc.M113.472563
BindingDB Entry DOI: 10.7270/Q2668C1K
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM32188
PNG
(CLIOQUINOL | Clioquinol (CQ) | TG2-36-2 | cid_2788)
Show SMILES Oc1c(I)cc(Cl)c2cccnc12
Show InChI InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
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n/an/a 3.11E+4n/an/an/an/a8.0n/a



Soochow University



Assay Description
Briefly, recombinant HDACs and substrates were diluted in reaction buffer (50 mM Tris-HCl, pH 8.0, 137 mM NaCl, 2.7mM KCl, 1mM MgCl2, 1 mg/ml BSA, 1%...


J Biol Chem 288: 34181-9 (2013)


Article DOI: 10.1074/jbc.M113.472563
BindingDB Entry DOI: 10.7270/Q2668C1K
More data for this
Ligand-Target Pair
Histone deacetylase 1/3/5/8


(Homo sapiens (Human))
BDBM32188
PNG
(CLIOQUINOL | Clioquinol (CQ) | TG2-36-2 | cid_2788)
Show SMILES Oc1c(I)cc(Cl)c2cccnc12
Show InChI InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
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n/an/a 3.07E+4n/an/an/an/a8.0n/a



Soochow University



Assay Description
Briefly, recombinant HDACs and substrates were diluted in reaction buffer (50 mM Tris-HCl, pH 8.0, 137 mM NaCl, 2.7mM KCl, 1mM MgCl2, 1 mg/ml BSA, 1%...


J Biol Chem 288: 34181-9 (2013)


Article DOI: 10.1074/jbc.M113.472563
BindingDB Entry DOI: 10.7270/Q2668C1K
More data for this
Ligand-Target Pair
Histone deacetylase 7 (HDAC7)


(Homo sapiens (human))
BDBM32188
PNG
(CLIOQUINOL | Clioquinol (CQ) | TG2-36-2 | cid_2788)
Show SMILES Oc1c(I)cc(Cl)c2cccnc12
Show InChI InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
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n/an/a 9.68E+4n/an/an/an/a8.0n/a



Soochow University



Assay Description
Briefly, recombinant HDACs and substrates were diluted in reaction buffer (50 mM Tris-HCl, pH 8.0, 137 mM NaCl, 2.7mM KCl, 1mM MgCl2, 1 mg/ml BSA, 1%...


J Biol Chem 288: 34181-9 (2013)


Article DOI: 10.1074/jbc.M113.472563
BindingDB Entry DOI: 10.7270/Q2668C1K
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM32188
PNG
(CLIOQUINOL | Clioquinol (CQ) | TG2-36-2 | cid_2788)
Show SMILES Oc1c(I)cc(Cl)c2cccnc12
Show InChI InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
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n/an/a 5.70E+4n/an/an/an/a8.0n/a



Soochow University



Assay Description
Briefly, recombinant HDACs and substrates were diluted in reaction buffer (50 mM Tris-HCl, pH 8.0, 137 mM NaCl, 2.7mM KCl, 1mM MgCl2, 1 mg/ml BSA, 1%...


J Biol Chem 288: 34181-9 (2013)


Article DOI: 10.1074/jbc.M113.472563
BindingDB Entry DOI: 10.7270/Q2668C1K
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM32188
PNG
(CLIOQUINOL | Clioquinol (CQ) | TG2-36-2 | cid_2788)
Show SMILES Oc1c(I)cc(Cl)c2cccnc12
Show InChI InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
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n/an/a 1.71E+5n/an/an/an/a8.0n/a



Soochow University



Assay Description
Briefly, recombinant HDACs and substrates were diluted in reaction buffer (50 mM Tris-HCl, pH 8.0, 137 mM NaCl, 2.7mM KCl, 1mM MgCl2, 1 mg/ml BSA, 1%...


J Biol Chem 288: 34181-9 (2013)


Article DOI: 10.1074/jbc.M113.472563
BindingDB Entry DOI: 10.7270/Q2668C1K
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM32188
PNG
(CLIOQUINOL | Clioquinol (CQ) | TG2-36-2 | cid_2788)
Show SMILES Oc1c(I)cc(Cl)c2cccnc12
Show InChI InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
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n/an/a 9.56E+4n/an/an/an/a8.0n/a



Soochow University



Assay Description
Briefly, recombinant HDACs and substrates were diluted in reaction buffer (50 mM Tris-HCl, pH 8.0, 137 mM NaCl, 2.7mM KCl, 1mM MgCl2, 1 mg/ml BSA, 1%...


J Biol Chem 288: 34181-9 (2013)


Article DOI: 10.1074/jbc.M113.472563
BindingDB Entry DOI: 10.7270/Q2668C1K
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM32188
PNG
(CLIOQUINOL | Clioquinol (CQ) | TG2-36-2 | cid_2788)
Show SMILES Oc1c(I)cc(Cl)c2cccnc12
Show InChI InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
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n/an/a 2.25E+4n/an/an/an/a8.0n/a



Soochow University



Assay Description
Briefly, recombinant HDACs and substrates were diluted in reaction buffer (50 mM Tris-HCl, pH 8.0, 137 mM NaCl, 2.7mM KCl, 1mM MgCl2, 1 mg/ml BSA, 1%...


J Biol Chem 288: 34181-9 (2013)


Article DOI: 10.1074/jbc.M113.472563
BindingDB Entry DOI: 10.7270/Q2668C1K
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM32188
PNG
(CLIOQUINOL | Clioquinol (CQ) | TG2-36-2 | cid_2788)
Show SMILES Oc1c(I)cc(Cl)c2cccnc12
Show InChI InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
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n/an/a 5.24E+4n/an/an/an/a8.0n/a



Soochow University



Assay Description
Briefly, recombinant HDACs and substrates were diluted in reaction buffer (50 mM Tris-HCl, pH 8.0, 137 mM NaCl, 2.7mM KCl, 1mM MgCl2, 1 mg/ml BSA, 1%...


J Biol Chem 288: 34181-9 (2013)


Article DOI: 10.1074/jbc.M113.472563
BindingDB Entry DOI: 10.7270/Q2668C1K
More data for this
Ligand-Target Pair
Histone deacetylase 1/3/5/8


(Homo sapiens (Human))
BDBM32188
PNG
(CLIOQUINOL | Clioquinol (CQ) | TG2-36-2 | cid_2788)
Show SMILES Oc1c(I)cc(Cl)c2cccnc12
Show InChI InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
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n/an/a 3.04E+4n/an/an/an/a8.0n/a



Soochow University



Assay Description
Briefly, recombinant HDACs and substrates were diluted in reaction buffer (50 mM Tris-HCl, pH 8.0, 137 mM NaCl, 2.7mM KCl, 1mM MgCl2, 1 mg/ml BSA, 1%...


J Biol Chem 288: 34181-9 (2013)


Article DOI: 10.1074/jbc.M113.472563
BindingDB Entry DOI: 10.7270/Q2668C1K
More data for this
Ligand-Target Pair
Histone deacetylase 7 (HDAC7)


(Homo sapiens (human))
BDBM32188
PNG
(CLIOQUINOL | Clioquinol (CQ) | TG2-36-2 | cid_2788)
Show SMILES Oc1c(I)cc(Cl)c2cccnc12
Show InChI InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
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n/an/a 9.04E+4n/an/an/an/a8.0n/a



Soochow University



Assay Description
Briefly, recombinant HDACs and substrates were diluted in reaction buffer (50 mM Tris-HCl, pH 8.0, 137 mM NaCl, 2.7mM KCl, 1mM MgCl2, 1 mg/ml BSA, 1%...


J Biol Chem 288: 34181-9 (2013)


Article DOI: 10.1074/jbc.M113.472563
BindingDB Entry DOI: 10.7270/Q2668C1K
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM32188
PNG
(CLIOQUINOL | Clioquinol (CQ) | TG2-36-2 | cid_2788)
Show SMILES Oc1c(I)cc(Cl)c2cccnc12
Show InChI InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
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n/an/a 7.46E+4n/an/an/an/a8.0n/a



Soochow University



Assay Description
Briefly, recombinant HDACs and substrates were diluted in reaction buffer (50 mM Tris-HCl, pH 8.0, 137 mM NaCl, 2.7mM KCl, 1mM MgCl2, 1 mg/ml BSA, 1%...


J Biol Chem 288: 34181-9 (2013)


Article DOI: 10.1074/jbc.M113.472563
BindingDB Entry DOI: 10.7270/Q2668C1K
More data for this
Ligand-Target Pair
Botulinum neurotoxin type A


(Clostridium botulinum)
BDBM32188
PNG
(CLIOQUINOL | Clioquinol (CQ) | TG2-36-2 | cid_2788)
Show SMILES Oc1c(I)cc(Cl)c2cccnc12
Show InChI InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
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n/an/a 2.03E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Clostridium botulinum BoNT/A LC expressed in Escherichia coli assessed as cleavage of SNAPtide preincubated for 5 mins followed by SNAP...


J Med Chem 57: 669-76 (2014)


Article DOI: 10.1021/jm4012164
BindingDB Entry DOI: 10.7270/Q2GH9KDZ
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (human))
BDBM32188
PNG
(CLIOQUINOL | Clioquinol (CQ) | TG2-36-2 | cid_2788)
Show SMILES Oc1c(I)cc(Cl)c2cccnc12
Show InChI InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
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n/an/a 5.00E+4n/an/an/an/a7.423



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
A fluorescence polarization based HTS assay has been developed and optimized for the identification of Hsp90 inhibitors by using tumor cell lysate Hs...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Q23XM6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM32188
PNG
(CLIOQUINOL | Clioquinol (CQ) | TG2-36-2 | cid_2788)
Show SMILES Oc1c(I)cc(Cl)c2cccnc12
Show InChI InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
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n/an/a 5.79E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q20C4T6J
More data for this
Ligand-Target Pair