BDBM81080 4-[(4-ethyl-1-piperazinyl)-mercaptomethylidene]-1-cyclohexa-2,5-dienone::4-[(4-ethyl-1-piperazinyl)carbonothioyl]phenol::4-[(4-ethylpiperazin-1-yl)-sulfanyl-methylidene]cyclohexa-2,5-dien-1-one::4-[(4-ethylpiperazin-1-yl)-sulfanylmethylidene]cyclohexa-2,5-dien-1-one::4-[(4-ethylpiperazino)-mercapto-methylene]cyclohexa-2,5-dien-1-one::MLS000621546::SMR000299713::US11225469, Compound 15::cid_5424195

SMILES CCN1CCN(CC1)C(=S)c1ccc(O)cc1

InChI Key InChIKey=CCGJOMGWGAAKFE-UHFFFAOYSA-N

Data  10 IC50

  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 10 hits for monomerid = 81080   

TargetGlucose-6-phosphate dehydrogenase-6-phosphogluconolactonase(Plasmodium falciparum 3D7)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM81080(4-[(4-ethyl-1-piperazinyl)-mercaptomethylidene]-1-...)
Affinity DataIC50:  2.85E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM81080(4-[(4-ethyl-1-piperazinyl)-mercaptomethylidene]-1-...)
Affinity DataIC50: >8.00E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetGlucose-6-phosphate dehydrogenase-6-phosphogluconolactonase(Plasmodium falciparum 3D7)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM81080(4-[(4-ethyl-1-piperazinyl)-mercaptomethylidene]-1-...)
Affinity DataIC50: >8.00E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetGlucose-6-phosphate dehydrogenase-6-phosphogluconolactonase(Plasmodium falciparum 3D7)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM81080(4-[(4-ethyl-1-piperazinyl)-mercaptomethylidene]-1-...)
Affinity DataIC50: >8.00E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetD-3-phosphoglycerate dehydrogenase(Homo sapiens (Human))
Whitehead Institute For Biomedical Research

US Patent
LigandPNGBDBM81080(4-[(4-ethyl-1-piperazinyl)-mercaptomethylidene]-1-...)
Affinity DataIC50: >2.00E+4nMAssay Description:PHGDH assay buffer contained 50 mM TEA pH 8.0, 10 mM MgCl2, 0.05% BSA, and 0.01% Tween-20. PHGDH enzyme buffer consisted of assay buffer with 20 nM P...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetDual specificity protein phosphatase 3(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM81080(4-[(4-ethyl-1-piperazinyl)-mercaptomethylidene]-1-...)
Affinity DataIC50:  740nMAssay 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 DepthDetails PCBioAssay
TargetTyrosine-protein phosphatase non-receptor type 11(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM81080(4-[(4-ethyl-1-piperazinyl)-mercaptomethylidene]-1-...)
Affinity DataIC50:  712nMAssay 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 DepthDetails PCBioAssay
TargetTyrosine-protein phosphatase non-receptor type 5(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM81080(4-[(4-ethyl-1-piperazinyl)-mercaptomethylidene]-1-...)
Affinity DataIC50:  3.38E+4nMAssay 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 DepthDetails PCBioAssay
TargetTyrosine-protein phosphatase non-receptor type 22(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM81080(4-[(4-ethyl-1-piperazinyl)-mercaptomethylidene]-1-...)
Affinity DataIC50:  4.52E+4nMAssay 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 DepthDetails PCBioAssay
TargetTyrosine-protein phosphatase non-receptor type 5(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM81080(4-[(4-ethyl-1-piperazinyl)-mercaptomethylidene]-1-...)
Affinity DataIC50:  2.01E+4nMAssay 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 DepthDetails PCBioAssay