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BDBM34462 (3,4-dichlorophenyl)-[4-(2-hydroxyethyl)-1-piperazinyl]methanethione::(3,4-dichlorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanethione::(3,4-dichlorophenyl)-[4-(2-hydroxyethyl)piperazino]methanethione::2-{4-[(3,4-dichlorophenyl)carbonothioyl]-1-piperazinyl}ethanol::MLS000049575::SMR000076115::cid_963027

SMILES: OCCN1CCN(CC1)C(=S)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=LBOZHQUNGDNWNA-UHFFFAOYSA-N

Data: 12 IC50

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 12 hits for monomerid = 34462   
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
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM34462
PNG
((3,4-dichlorophenyl)-[4-(2-hydroxyethyl)-1-piperaz...)
Show SMILES OCCN1CCN(CC1)C(=S)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C13H16Cl2N2OS/c14-11-2-1-10(9-12(11)15)13(19)17-5-3-16(4-6-17)7-8-18/h1-2,9,18H,3-8H2
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MMDB

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n/an/a 3.20E+3n/an/an/an/a8.023



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
A fluorescence resonance energy transfer assay is developed in 96-well and 384-well microplate formats with robotic manipulation to enable high-throu...


PubChem Bioassay (2007)

More data for this
Ligand-Target Pair
Glucose 6-phosphate dehydrogenase (G6PD)


(Homo sapiens (Human))
BDBM34462
PNG
((3,4-dichlorophenyl)-[4-(2-hydroxyethyl)-1-piperaz...)
Show SMILES OCCN1CCN(CC1)C(=S)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C13H16Cl2N2OS/c14-11-2-1-10(9-12(11)15)13(19)17-5-3-16(4-6-17)7-8-18/h1-2,9,18H,3-8H2
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n/an/a>8.00E+4n/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 CA...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)
BDBM34462
PNG
((3,4-dichlorophenyl)-[4-(2-hydroxyethyl)-1-piperaz...)
Show SMILES OCCN1CCN(CC1)C(=S)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C13H16Cl2N2OS/c14-11-2-1-10(9-12(11)15)13(19)17-5-3-16(4-6-17)7-8-18/h1-2,9,18H,3-8H2
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n/an/a 1.25E+4n/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 CA...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)
BDBM34462
PNG
((3,4-dichlorophenyl)-[4-(2-hydroxyethyl)-1-piperaz...)
Show SMILES OCCN1CCN(CC1)C(=S)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C13H16Cl2N2OS/c14-11-2-1-10(9-12(11)15)13(19)17-5-3-16(4-6-17)7-8-18/h1-2,9,18H,3-8H2
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UniChem
Article
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n/an/a>8.00E+4n/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 CA...


PubChem Bioassay (2011)


Article DOI: 10.1016/j.bioorg.2015.06.006
More data for this
Ligand-Target Pair
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase


(Plasmodium falciparum 3D7)
BDBM34462
PNG
((3,4-dichlorophenyl)-[4-(2-hydroxyethyl)-1-piperaz...)
Show SMILES OCCN1CCN(CC1)C(=S)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C13H16Cl2N2OS/c14-11-2-1-10(9-12(11)15)13(19)17-5-3-16(4-6-17)7-8-18/h1-2,9,18H,3-8H2
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n/an/a>8.00E+4n/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 CA...


PubChem Bioassay (2011)


Article DOI: 10.1016/j.bioorg.2015.07.001
More data for this
Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8


(Homo sapiens (Human))
BDBM34462
PNG
((3,4-dichlorophenyl)-[4-(2-hydroxyethyl)-1-piperaz...)
Show SMILES OCCN1CCN(CC1)C(=S)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C13H16Cl2N2OS/c14-11-2-1-10(9-12(11)15)13(19)17-5-3-16(4-6-17)7-8-18/h1-2,9,18H,3-8H2
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n/an/a 1.08E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM34462
PNG
((3,4-dichlorophenyl)-[4-(2-hydroxyethyl)-1-piperaz...)
Show SMILES OCCN1CCN(CC1)C(=S)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C13H16Cl2N2OS/c14-11-2-1-10(9-12(11)15)13(19)17-5-3-16(4-6-17)7-8-18/h1-2,9,18H,3-8H2
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n/an/a 339n/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 (2012)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))
BDBM34462
PNG
((3,4-dichlorophenyl)-[4-(2-hydroxyethyl)-1-piperaz...)
Show SMILES OCCN1CCN(CC1)C(=S)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C13H16Cl2N2OS/c14-11-2-1-10(9-12(11)15)13(19)17-5-3-16(4-6-17)7-8-18/h1-2,9,18H,3-8H2
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n/an/a 1.99E+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 (2012)

More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens (Human))
BDBM34462
PNG
((3,4-dichlorophenyl)-[4-(2-hydroxyethyl)-1-piperaz...)
Show SMILES OCCN1CCN(CC1)C(=S)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C13H16Cl2N2OS/c14-11-2-1-10(9-12(11)15)13(19)17-5-3-16(4-6-17)7-8-18/h1-2,9,18H,3-8H2
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n/an/a 2.20E+4n/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 (2012)

More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM34462
PNG
((3,4-dichlorophenyl)-[4-(2-hydroxyethyl)-1-piperaz...)
Show SMILES OCCN1CCN(CC1)C(=S)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C13H16Cl2N2OS/c14-11-2-1-10(9-12(11)15)13(19)17-5-3-16(4-6-17)7-8-18/h1-2,9,18H,3-8H2
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n/an/a>1.00E+5n/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 (2012)

More data for this
Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8


(Homo sapiens (Human))
BDBM34462
PNG
((3,4-dichlorophenyl)-[4-(2-hydroxyethyl)-1-piperaz...)
Show SMILES OCCN1CCN(CC1)C(=S)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C13H16Cl2N2OS/c14-11-2-1-10(9-12(11)15)13(19)17-5-3-16(4-6-17)7-8-18/h1-2,9,18H,3-8H2
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n/an/a 1.08E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
tyrosine-protein phosphatase non-receptor type 5 isoform a


(Homo sapiens (Human))
BDBM34462
PNG
((3,4-dichlorophenyl)-[4-(2-hydroxyethyl)-1-piperaz...)
Show SMILES OCCN1CCN(CC1)C(=S)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C13H16Cl2N2OS/c14-11-2-1-10(9-12(11)15)13(19)17-5-3-16(4-6-17)7-8-18/h1-2,9,18H,3-8H2
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UniChem
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n/an/a 8.95E+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 (2012)

More data for this
Ligand-Target Pair