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
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
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E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human)) | BDBM43362 (MLS000069752 | N,N-dimethylcarbamodithioic acid (d...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents | PCBioAssay | n/a | n/a | n/a | n/a | 180 | n/a | n/a | n/a | n/a |
PCMD Curated by PubChem BioAssay | Assay Description Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q21J984Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Fructose-1,6-bisphosphatase (Homo sapiens (Human)) | BDBM43362 (MLS000069752 | N,N-dimethylcarbamodithioic acid (d...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents | n/a | n/a | 2.29E+3 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human)) | BDBM43362 (MLS000069752 | N,N-dimethylcarbamodithioic acid (d...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents | PCBioAssay | n/a | n/a | n/a | n/a | 80 | n/a | n/a | n/a | n/a |
PCMD Curated by PubChem BioAssay | Assay Description Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2KW5DG0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human)) | BDBM43362 (MLS000069752 | N,N-dimethylcarbamodithioic acid (d...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents | PCBioAssay | n/a | n/a | n/a | n/a | 400 | n/a | n/a | n/a | n/a |
PCMD Curated by PubChem BioAssay | Assay Description Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Brent Stockwell, Columbia University ML... | PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2G73C3D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human)) | BDBM43362 (MLS000069752 | N,N-dimethylcarbamodithioic acid (d...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford Curated by ChEMBL | Assay 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 assay | Bioorg Med Chem Lett 24: 4954-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.035 BindingDB Entry DOI: 10.7270/Q2D2207X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human)) | BDBM43362 (MLS000069752 | N,N-dimethylcarbamodithioic acid (d...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 3.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford Curated by ChEMBL | Assay 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 assay | Bioorg Med Chem Lett 24: 4954-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.035 BindingDB Entry DOI: 10.7270/Q2D2207X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human)) | BDBM43362 (MLS000069752 | N,N-dimethylcarbamodithioic acid (d...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 5.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford Curated by ChEMBL | Assay 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 assay | Bioorg Med Chem Lett 24: 4954-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.035 BindingDB Entry DOI: 10.7270/Q2D2207X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human)) | BDBM43362 (MLS000069752 | N,N-dimethylcarbamodithioic acid (d...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | n/a | 5.90E+4 | n/a | n/a | n/a | n/a | n/a |
University of Oxford Curated by ChEMBL | Assay Description Binding affinity to human BBOX by tryptophan fluorescence quenching binding assay | Bioorg Med Chem Lett 24: 4954-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.035 BindingDB Entry DOI: 10.7270/Q2D2207X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human)) | BDBM43362 (MLS000069752 | N,N-dimethylcarbamodithioic acid (d...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | n/a | 3.50E+4 | n/a | n/a | n/a | n/a | n/a |
University of Oxford Curated by ChEMBL | Assay Description Binding affinity to human BBOX in presence of Fe(II) by tryptophan fluorescence quenching binding assay | Bioorg Med Chem Lett 24: 4954-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.035 BindingDB Entry DOI: 10.7270/Q2D2207X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human)) | BDBM43362 (MLS000069752 | N,N-dimethylcarbamodithioic acid (d...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 5.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford Curated by ChEMBL | Assay 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 assay | Bioorg Med Chem Lett 24: 4954-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.035 BindingDB Entry DOI: 10.7270/Q2D2207X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Gamma-butyrobetaine dioxygenase (Homo sapiens (Human)) | BDBM43362 (MLS000069752 | N,N-dimethylcarbamodithioic acid (d...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 7.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford Curated by ChEMBL | Assay 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 assay | Bioorg Med Chem Lett 24: 4954-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.035 BindingDB Entry DOI: 10.7270/Q2D2207X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Fatty-acid amide hydrolase 1 (Homo sapiens (Human)) | BDBM43362 (MLS000069752 | N,N-dimethylcarbamodithioic acid (d...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 4.47E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universite Catholique de Louvain Curated by ChEMBL | Assay Description Inhibition of human recombinant FAAH-maltose binding protein | J Med Chem 52: 7310-4 (2009) Article DOI: 10.1021/jm901323s BindingDB Entry DOI: 10.7270/Q2319X48 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Monoglyceride lipase (Homo sapiens (Human)) | BDBM43362 (MLS000069752 | N,N-dimethylcarbamodithioic acid (d...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 977 | n/a | n/a | n/a | n/a | n/a | n/a |
Universite Catholique de Louvain Curated by ChEMBL | Assay Description Inhibition of human MGL activity using [3H]2-oleoylglycerol substrate by liquid scintillation counting | J Med Chem 52: 7310-4 (2009) Article DOI: 10.1021/jm901323s BindingDB Entry DOI: 10.7270/Q2319X48 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein G9a (G9a) (Homo sapiens (Human)) | BDBM43362 (MLS000069752 | N,N-dimethylcarbamodithioic acid (d...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
Radboud University Curated by ChEMBL | Assay Description Inhibition of wild type recombinant human histone lysine methyltransferase G9a (913 to 1193 residues) expressed in Escherichia coli Rosetta BL21 DE3 ... | Bioorg Med Chem Lett 28: 1234-1238 (2018) Article DOI: 10.1016/j.bmcl.2018.02.043 BindingDB Entry DOI: 10.7270/Q24Q7XKJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone-lysine N-methyltransferase EHMT1 (Homo sapiens (Human)) | BDBM43362 (MLS000069752 | N,N-dimethylcarbamodithioic acid (d...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Radboud University Curated by ChEMBL | Assay Description Inhibition of wild type recombinant human histone lysine methyltransferase GLP (951 to 1235 residues) expressed in Escherichia coli Rosetta BL21 DE3 ... | Bioorg Med Chem Lett 28: 1234-1238 (2018) Article DOI: 10.1016/j.bmcl.2018.02.043 BindingDB Entry DOI: 10.7270/Q24Q7XKJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lysyl oxidase homolog 3 (Homo sapiens (Human)) | BDBM43362 (MLS000069752 | N,N-dimethylcarbamodithioic acid (d...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Hungarian Academy of Sciences Curated by ChEMBL | Assay Description Inhibition of recombinant human LOXL3 expressed in CHO cells using diaminopentane as substrate preincubated for 30 mins followed by substrate additio... | Bioorg Med Chem Lett 28: 3113-3118 (2018) Article DOI: 10.1016/j.bmcl.2018.07.001 BindingDB Entry DOI: 10.7270/Q28P6366 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lysyl oxidase homolog 2 (Homo sapiens (Human)) | BDBM43362 (MLS000069752 | N,N-dimethylcarbamodithioic acid (d...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Hungarian Academy of Sciences Curated by ChEMBL | Assay Description Inhibition of recombinant LOXL2 (unknown origin) expressed in NS0 cells using diaminopentane as substrate preincubated for 30 mins followed by substr... | Bioorg Med Chem Lett 28: 3113-3118 (2018) Article DOI: 10.1016/j.bmcl.2018.07.001 BindingDB Entry DOI: 10.7270/Q28P6366 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lysyl oxidase (Homo sapiens (Human)) | BDBM43362 (MLS000069752 | N,N-dimethylcarbamodithioic acid (d...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 1.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hungarian Academy of Sciences Curated by ChEMBL | Assay Description Inhibition of recombinant human LOX expressed in HEK293 cells using diaminopentane as substrate preincubated for 30 mins followed by substrate additi... | Bioorg Med Chem Lett 28: 3113-3118 (2018) Article DOI: 10.1016/j.bmcl.2018.07.001 BindingDB Entry DOI: 10.7270/Q28P6366 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Lysyl oxidase homolog 4 (Homo sapiens) | BDBM43362 (MLS000069752 | N,N-dimethylcarbamodithioic acid (d...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Hungarian Academy of Sciences Curated by ChEMBL | Assay Description Inhibition of recombinant human LOXL4 expressed in baculovirus infected insect cells using diaminopentane as substrate preincubated for 30 mins follo... | Bioorg Med Chem Lett 28: 3113-3118 (2018) Article DOI: 10.1016/j.bmcl.2018.07.001 BindingDB Entry DOI: 10.7270/Q28P6366 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase JAK2 (Homo sapiens (Human)) | BDBM43362 (MLS000069752 | N,N-dimethylcarbamodithioic acid (d...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase KEGG PC cid PC sid UniChem Patents | PCBioAssay | n/a | n/a | 223 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS... | PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q20863Q9 | |||||||||||
More data for this Ligand-Target Pair |