BDBM43362 MLS000069752::N,N-dimethylcarbamodithioic acid (dimethylthiocarbamoylthio) ester::N,N-dimethylcarbamodithioic acid [[dimethylamino(sulfanylidene)methyl]thio] ester::SMR000059023::TETRAMETHYLTHIURAM DISULFIDE::cid_5455::dimethylcarbamothioylsulfanyl N,N-dimethylcarbamodithioate

SMILES CN(C)C(=S)SSC(=S)N(C)C

InChI Key InChIKey=KUAZQDVKQLNFPE-UHFFFAOYSA-N

Data  17 IC50  2 Kd  3 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 43362   

LigandPNGBDBM43362(MLS000069752 | N,N-dimethylcarbamodithioic acid (d...)
Affinity DataEC50:  180nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetAldehyde dehydrogenase, mitochondrial(Human)
Umm Al-Qura University

Curated by ChEMBL
LigandPNGBDBM43362(MLS000069752 | N,N-dimethylcarbamodithioic acid (d...)
Affinity DataIC50:  320nMAssay Description:Inhibition of ALDH2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM43362(MLS000069752 | N,N-dimethylcarbamodithioic acid (d...)
Affinity DataEC50:  80nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
LigandPNGBDBM43362(MLS000069752 | N,N-dimethylcarbamodithioic acid (d...)
Affinity DataEC50:  400nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetGamma-butyrobetaine dioxygenase(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM43362(MLS000069752 | N,N-dimethylcarbamodithioic acid (d...)
Affinity DataIC50:  1.40E+4nMAssay Description:Inhibition of human BBOX pre-incubated for 15 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-butyrobetaine dioxygenase(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM43362(MLS000069752 | N,N-dimethylcarbamodithioic acid (d...)
Affinity DataIC50:  3.40E+4nMAssay Description:Inhibition of human BBOX pre-incubated for 10 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-butyrobetaine dioxygenase(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM43362(MLS000069752 | N,N-dimethylcarbamodithioic acid (d...)
Affinity DataIC50:  5.60E+4nMAssay Description:Inhibition of human BBOX pre-incubated for 1 min using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-butyrobetaine dioxygenase(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM43362(MLS000069752 | N,N-dimethylcarbamodithioic acid (d...)
Affinity DataKd:  5.90E+4nMAssay Description:Binding affinity to human BBOX by tryptophan fluorescence quenching binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-butyrobetaine dioxygenase(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM43362(MLS000069752 | N,N-dimethylcarbamodithioic acid (d...)
Affinity DataKd:  3.50E+4nMAssay Description:Binding affinity to human BBOX in presence of Fe(II) by tryptophan fluorescence quenching binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-butyrobetaine dioxygenase(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM43362(MLS000069752 | N,N-dimethylcarbamodithioic acid (d...)
Affinity DataIC50:  5.80E+3nMAssay Description:Inhibition of human BBOX pre-incubated for 25 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGamma-butyrobetaine dioxygenase(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM43362(MLS000069752 | N,N-dimethylcarbamodithioic acid (d...)
Affinity DataIC50:  7.90E+3nMAssay Description:Inhibition of human BBOX pre-incubated for 20 mins using TBS-protected fluorescein probe and Fe (II) (Fe(NH4)2(SO4)2 salt by fluoride release assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFatty-acid amide hydrolase 1(Human)
Universite Catholique De Louvain

Curated by ChEMBL
LigandPNGBDBM43362(MLS000069752 | N,N-dimethylcarbamodithioic acid (d...)
Affinity DataIC50:  4.47E+4nMAssay Description:Inhibition of human recombinant FAAH-maltose binding proteinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMonoglyceride lipase(Human)
Universite Catholique De Louvain

Curated by ChEMBL
LigandPNGBDBM43362(MLS000069752 | N,N-dimethylcarbamodithioic acid (d...)
Affinity DataIC50:  977nMAssay Description:Inhibition of human MGL activity using [3H]2-oleoylglycerol substrate by liquid scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone-lysine N-methyltransferase EHMT2(Human)
Radboud University

Curated by ChEMBL
LigandPNGBDBM43362(MLS000069752 | N,N-dimethylcarbamodithioic acid (d...)
Affinity DataIC50:  550nMAssay Description:Inhibition of wild type recombinant human histone lysine methyltransferase G9a (913 to 1193 residues) expressed in Escherichia coli Rosetta BL21 DE3 ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone-lysine N-methyltransferase EHMT1(Human)
Radboud University

Curated by ChEMBL
LigandPNGBDBM43362(MLS000069752 | N,N-dimethylcarbamodithioic acid (d...)
Affinity DataIC50:  1.10E+3nMAssay Description:Inhibition of wild type recombinant human histone lysine methyltransferase GLP (951 to 1235 residues) expressed in Escherichia coli Rosetta BL21 DE3 ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysyl oxidase homolog 3(Human)
Hungarian Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM43362(MLS000069752 | N,N-dimethylcarbamodithioic acid (d...)
Affinity DataIC50:  110nMAssay Description:Inhibition of recombinant human LOXL3 expressed in CHO cells using diaminopentane as substrate preincubated for 30 mins followed by substrate additio...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysyl oxidase homolog 2(Human)
Hungarian Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM43362(MLS000069752 | N,N-dimethylcarbamodithioic acid (d...)
Affinity DataIC50:  170nMAssay Description:Inhibition of recombinant LOXL2 (unknown origin) expressed in NS0 cells using diaminopentane as substrate preincubated for 30 mins followed by substr...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProtein-lysine 6-oxidase(Human)
Hungarian Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM43362(MLS000069752 | N,N-dimethylcarbamodithioic acid (d...)
Affinity DataIC50:  1.04E+3nMAssay Description:Inhibition of recombinant human LOX expressed in HEK293 cells using diaminopentane as substrate preincubated for 30 mins followed by substrate additi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysyl oxidase homolog 4(Human)
Hungarian Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM43362(MLS000069752 | N,N-dimethylcarbamodithioic acid (d...)
Affinity DataIC50:  180nMAssay Description:Inhibition of recombinant human LOXL4 expressed in baculovirus infected insect cells using diaminopentane as substrate preincubated for 30 mins follo...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFructose-1,6-bisphosphatase 1(Human)
East China University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM43362(MLS000069752 | N,N-dimethylcarbamodithioic acid (d...)
Affinity DataIC50:  2.29E+3nMAssay Description:Inhibition of wild-type full-length human liver FBPase expressed in Escherichia coli BL21 (DE3) using FBP as substrate by malachite green dye based a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAldehyde dehydrogenase 1A1(Human)
Umm Al-Qura University

Curated by ChEMBL
LigandPNGBDBM43362(MLS000069752 | N,N-dimethylcarbamodithioic acid (d...)
Affinity DataIC50:  20nMAssay Description:Inhibition of ALDH1A1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosine-protein kinase JAK2(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM43362(MLS000069752 | N,N-dimethylcarbamodithioic acid (d...)
Affinity DataIC50:  223nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay