BDBM50058655 1,1',1'',1'''-[disulfanediylbis(carbonothioylnitrilo)]tetraethane::1,1'-dithiobis(N,N-diethylthioformamide)::Antabuse (TN)::CHEMBL964::DISULFIRAM::Disul-firam::N,N,N',N'-tetraethylthiuram disulfide::N,N-diethyl[(diethylcarbamothioyl)disulfanyl]carbothioamide (G5)::bis(diethylthiocarbamoyl) disulfide::cid_3117::med.21724, Compound 151::tetraethylthioperoxydicarbonic diamide::tetraethylthiuram disulfide::tetraethylthiuram disulphide

SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC

InChI Key InChIKey=AUZONCFQVSMFAP-UHFFFAOYSA-N

Data  1 KI  39 IC50  2 EC50

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 42 hits for monomerid = 50058655   

TargetReplicase polyprotein 1ab(2019-nCoV)
Michigan State University

LigandPNGBDBM50058655(1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...)
Show SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC
Show InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
Affinity DataKi:  3.71E+3nMAssay Description:This is a review article. Please point to the original journal.More data for this Ligand-Target Pair
TargetAldehyde dehydrogenase, mitochondrial(Homo sapiens (Human))
Umm Al-Qura University

Curated by ChEMBL
LigandPNGBDBM50058655(1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...)
Show SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC
Show InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
Affinity DataIC50: 3.40E+3nMAssay Description:Inhibition of ALDH2 (unknown origin)More data for this Ligand-Target Pair
TargetPerilipin-1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50058655(1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...)
Show SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC
Show InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
Affinity DataIC50: 6.96E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
TargetPerilipin-5(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50058655(1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...)
Show SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC
Show InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
Affinity DataIC50: 1.62E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
TargetCaspase-1(Homo sapiens (Human))
DePaul University

LigandPNGBDBM50058655(1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...)
Show SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC
Show InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
Affinity DataIC50: 1.80E+3nMpH: 7.5 T: 2°CAssay Description:All assays were performed at 100 ÁL total volume in triplicate and monitored for 60 minutes at room temperature in a 96-well plate format in HEPES Bu...More data for this Ligand-Target Pair
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
Southern Research Institute

Curated by PubChem BioAssay
LigandPNGBDBM50058655(1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...)
Show SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC
Show InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
Affinity DataEC50: >5.00E+4nMMore data for this Ligand-Target Pair
TargetAldehyde dehydrogenase, mitochondrial(Rattus norvegicus)
Universite Catholique de Louvain

Curated by ChEMBL
LigandPNGBDBM50058655(1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...)
Show SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC
Show InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
Affinity DataIC50: 3.98E+4nMAssay Description:Inhibition of recombinant rat ALDH activity in liver mitochondriaMore data for this Ligand-Target Pair
TargetFatty-acid amide hydrolase 1(Homo sapiens (Human))
Universite Catholique de Louvain

Curated by ChEMBL
LigandPNGBDBM50058655(1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...)
Show SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC
Show InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
Affinity DataIC50: 3.63E+5nMAssay Description:Inhibition of human recombinant FAAH-maltose binding proteinMore data for this Ligand-Target Pair
TargetMonoglyceride lipase(Homo sapiens (Human))
Universite Catholique de Louvain

Curated by ChEMBL
LigandPNGBDBM50058655(1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...)
Show SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC
Show InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
Affinity DataIC50: 1.26E+3nMAssay Description:Inhibition of human MGL activity using [3H]2-oleoylglycerol substrate by liquid scintillation countingMore data for this Ligand-Target Pair
TargetTransient receptor potential cation channel subfamily A member 1(Homo sapiens (Human))
Ferrara University

Curated by ChEMBL
LigandPNGBDBM50058655(1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...)
Show SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC
Show InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
Affinity DataEC50:  3.00E+3nMAssay Description:Agonist activity at human TRPA1 channel expressed in CHO cells assessed as increase in intracellular calcium levelsMore data for this Ligand-Target Pair
TargetBile salt export pump(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50058655(1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...)
Show SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC
Show InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50058655(1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...)
Show SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC
Show InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50058655(1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...)
Show SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC
Show InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
TargetBile salt export pump(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM50058655(1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...)
Show SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC
Show InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
TargetATP-binding cassette sub-family C member 3(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50058655(1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...)
Show SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC
Show InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
TargetMonoglyceride lipase(Homo sapiens (Human))
Universite Catholique de Louvain

Curated by ChEMBL
LigandPNGBDBM50058655(1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...)
Show SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC
Show InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
Affinity DataIC50: 360nMAssay Description:Inhibition of recombinant human N-terminal His6-tagged and C-terminal Strep-tagged MAGL expressed in Escherichia coli Rosetta using [3H]2-OG as subst...More data for this Ligand-Target Pair
TargetLysine-specific demethylase 5A(Homo sapiens (Human))
University of Connecticut

Curated by ChEMBL
LigandPNGBDBM50058655(1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...)
Show SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC
Show InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of JARID1A PHD finger domain (unknown origin)More data for this Ligand-Target Pair
TargetHistone-lysine N-methyltransferase EHMT2(Homo sapiens (Human))
Radboud University

Curated by ChEMBL
LigandPNGBDBM50058655(1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...)
Show SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC
Show InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
Affinity DataIC50: 600nMAssay 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
TargetHistone-lysine N-methyltransferase EHMT1(Homo sapiens (Human))
Radboud University

Curated by ChEMBL
LigandPNGBDBM50058655(1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...)
Show SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC
Show InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
Affinity DataIC50: 1.60E+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
TargetLysyl oxidase homolog 4(Homo sapiens)
Hungarian Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50058655(1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...)
Show SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC
Show InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
Affinity DataIC50: 59nMAssay 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
TargetProtein-lysine 6-oxidase(Homo sapiens (Human))
Hungarian Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50058655(1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...)
Show SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC
Show InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
Affinity DataIC50: 320nMAssay 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
TargetLysyl oxidase homolog 2(Homo sapiens (Human))
Hungarian Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50058655(1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...)
Show SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC
Show InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
Affinity DataIC50: 150nMAssay 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
TargetLysyl oxidase homolog 3(Homo sapiens (Human))
Hungarian Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50058655(1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...)
Show SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC
Show InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
Affinity DataIC50: 93nMAssay 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
TargetReplicase polyprotein 1ab(2019-nCoV)
Michigan State University

LigandPNGBDBM50058655(1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...)
Show SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC
Show InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
Affinity DataIC50: 9.35E+3nMAssay Description:This is a review article.More data for this Ligand-Target Pair
TargetReplicase polyprotein 1ab(2019-nCoV)
Michigan State University

LigandPNGBDBM50058655(1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...)
Show SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC
Show InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
Affinity DataIC50: 9.35E+3nMAssay Description:Recombinant SARS-CoV-2 Mpro with native N and C termini was expressed in Escherichia coli, and subsequently purified (Extended Data Fig. 1a, b). The ...More data for this Ligand-Target Pair
TargetReplicase polyprotein 1ab(2019-nCoV)
Michigan State University

LigandPNGBDBM50058655(1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...)
Show SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC
Show InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
Affinity DataIC50: 220nMAssay Description:Primary assay principle based on quenched FRET peptide substrate of SARS-CoV-2 3CL-Pro (lhs). Inhibiting compounds reduce fluorescence signal relativ...More data for this Ligand-Target Pair
TargetReplicase polyprotein 1ab(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
Fraunhofer Institute for Translational Medicine and Pharmacology (ITMP) and Fraunhofer Cluster of Excellence for Immune mediated diseases (CIMD)

LigandPNGBDBM50058655(1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...)
Show SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC
Show InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
Affinity DataIC50: 2.68E+4nMAssay Description:Primary assay principle based on quenched FRET peptide substrate of SARS-CoV-2 3CL-Pro (lhs). Inhibiting compounds reduce fluorescence signal relativ...More data for this Ligand-Target Pair
TargetFructose-1,6-bisphosphatase 1(Homo sapiens (Human))
Central China Normal University

Curated by ChEMBL
LigandPNGBDBM50058655(1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...)
Show SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC
Show InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
Affinity DataIC50: 1.50E+3nMAssay Description:Inhibition of wild-type full-length human liver FBPase expressed in Escherichia coli BL21 (DE3) using FBP as substrate incubated for 5 mins by malach...More data for this Ligand-Target Pair
TargetFructose-1,6-bisphosphatase 1(Homo sapiens (Human))
Central China Normal University

Curated by ChEMBL
LigandPNGBDBM50058655(1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...)
Show SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC
Show InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
Affinity DataIC50: 600nMAssay Description:Inhibition of human liver FBPase C38S mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate incubated for 5 mins by malachite green ...More data for this Ligand-Target Pair
TargetFructose-1,6-bisphosphatase 1(Homo sapiens (Human))
Central China Normal University

Curated by ChEMBL
LigandPNGBDBM50058655(1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...)
Show SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC
Show InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
Affinity DataIC50: 1.20E+3nMAssay Description:Inhibition of human liver FBPase C92S mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate incubated for 5 mins by malachite green ...More data for this Ligand-Target Pair
TargetFructose-1,6-bisphosphatase 1(Homo sapiens (Human))
Central China Normal University

Curated by ChEMBL
LigandPNGBDBM50058655(1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...)
Show SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC
Show InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
Affinity DataIC50: 1.30E+3nMAssay Description:Inhibition of human liver FBPase C116S mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate incubated for 5 mins by malachite green...More data for this Ligand-Target Pair
TargetFructose-1,6-bisphosphatase 1(Homo sapiens (Human))
Central China Normal University

Curated by ChEMBL
LigandPNGBDBM50058655(1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...)
Show SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC
Show InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
Affinity DataIC50: 1.00E+6nMAssay Description:Inhibition of human liver FBPase C128S mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate incubated for 5 mins by malachite green...More data for this Ligand-Target Pair
TargetFructose-1,6-bisphosphatase 1(Homo sapiens (Human))
Central China Normal University

Curated by ChEMBL
LigandPNGBDBM50058655(1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...)
Show SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC
Show InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
Affinity DataIC50: 1.90E+3nMAssay Description:Inhibition of human liver FBPase C179S mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate incubated for 5 mins by malachite green...More data for this Ligand-Target Pair
TargetFructose-1,6-bisphosphatase 1(Homo sapiens (Human))
Central China Normal University

Curated by ChEMBL
LigandPNGBDBM50058655(1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...)
Show SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC
Show InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
Affinity DataIC50: 1.50E+3nMAssay Description:Inhibition of human liver FBPase C183S mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate incubated for 5 mins by malachite green...More data for this Ligand-Target Pair
TargetFructose-1,6-bisphosphatase 1(Homo sapiens (Human))
Central China Normal University

Curated by ChEMBL
LigandPNGBDBM50058655(1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...)
Show SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC
Show InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
Affinity DataIC50: 1.10E+3nMAssay Description:Inhibition of human liver FBPase C281S mutant expressed in Escherichia coli BL21 (DE3) using FBP as substrate incubated for 5 mins by malachite green...More data for this Ligand-Target Pair
TargetCarbamate kinase(Giardia intestinalis)
Commonwealth Scientific and Industrial Research Organization

Curated by ChEMBL
LigandPNGBDBM50058655(1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...)
Show SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC
Show InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
Affinity DataIC50: 600nMAssay Description:Inhibition of Giardia lamblia carbamate Kinase preincubated for 15 mins followed by ADP and carbamate phosphate addition and measured after 20 mins b...More data for this Ligand-Target Pair
TargetReplicase polyprotein 1ab(2019-nCoV)
Michigan State University

LigandPNGBDBM50058655(1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...)
Show SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC
Show InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
Affinity DataIC50: 9.35E+3nMAssay Description:This is a review article. Please point to the original journal.More data for this Ligand-Target Pair
TargetFructose-1,6-bisphosphatase 1(Homo sapiens (Human))
Central China Normal University

Curated by ChEMBL
LigandPNGBDBM50058655(1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...)
Show SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC
Show InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
Affinity DataIC50: 1.78E+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
TargetNACHT, LRR and PYD domains-containing protein 3(Mus musculus)
Guangzhou Medical University

Curated by ChEMBL
LigandPNGBDBM50058655(1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...)
Show SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC
Show InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
Affinity DataIC50: 3.00E+3nMAssay Description:Inhibition of NLRP3 in mouse J774A.1 cells infected with FLA-ST assessed as inhibition of LPS- induced IL-1beta production by ELISAMore data for this Ligand-Target Pair
TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
Umm Al-Qura University

Curated by ChEMBL
LigandPNGBDBM50058655(1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...)
Show SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC
Show InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
Affinity DataIC50: 130nMAssay Description:Inhibition of ALDH1A1 (unknown origin)More data for this Ligand-Target Pair
TargetApelin receptor(Homo sapiens (Human))
Sanford-Burnham Center for Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50058655(1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...)
Show SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC
Show InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
Affinity DataIC50: 2.63E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford- Sanford-Burnham Medical Research Institute(SBMRI, San...More data for this Ligand-Target Pair
TargetType-1 angiotensin II receptor(Homo sapiens (Human))
Burnham Center for Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50058655(1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...)
Show SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC
Show InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
Affinity DataIC50: 6.64E+3nMAssay 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