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SMILES: S(Sc1ccccn1)c1ccccn1

InChI Key: InChIKey=HAXFWIACAGNFHA-UHFFFAOYSA-N

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 5 hits for monomerid = 60840   
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
DNA dC->dU-editing enzyme APOBEC-3G


(Homo sapiens (Human))
BDBM60840
PNG
(2,2'-dithiodipyridine | 2-(2-pyridinyldisulfan...)
Show SMILES S(Sc1ccccn1)c1ccccn1
Show InChI InChI=1S/C10H8N2S2/c1-3-7-11-9(5-1)13-14-10-6-2-4-8-12-10/h1-8H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 3.88E+3n/an/an/an/an/a25



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 (2011)


BindingDB Entry DOI: 10.7270/Q2HQ3XD6
More data for this
Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM60840
PNG
(2,2'-dithiodipyridine | 2-(2-pyridinyldisulfan...)
Show SMILES S(Sc1ccccn1)c1ccccn1
Show InChI InChI=1S/C10H8N2S2/c1-3-7-11-9(5-1)13-14-10-6-2-4-8-12-10/h1-8H
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem
PCBioAssay
n/an/a>1.00E+5n/an/an/an/an/a25



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 (2011)


BindingDB Entry DOI: 10.7270/Q2CZ35ND
More data for this
Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1


(Homo sapiens (Human))
BDBM60840
PNG
(2,2'-dithiodipyridine | 2-(2-pyridinyldisulfan...)
Show SMILES S(Sc1ccccn1)c1ccccn1
Show InChI InChI=1S/C10H8N2S2/c1-3-7-11-9(5-1)13-14-10-6-2-4-8-12-10/h1-8H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.70E+3n/an/an/an/an/an/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
Histone-lysine N-methyltransferase EHMT2


(Homo sapiens (Human))
BDBM60840
PNG
(2,2'-dithiodipyridine | 2-(2-pyridinyldisulfan...)
Show SMILES S(Sc1ccccn1)c1ccccn1
Show InChI InChI=1S/C10H8N2S2/c1-3-7-11-9(5-1)13-14-10-6-2-4-8-12-10/h1-8H
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 650n/an/an/an/an/an/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
Mitochondrial peptide methionine sulfoxide reductase


(Bos taurus)
BDBM60840
PNG
(2,2'-dithiodipyridine | 2-(2-pyridinyldisulfan...)
Show SMILES S(Sc1ccccn1)c1ccccn1
Show InChI InChI=1S/C10H8N2S2/c1-3-7-11-9(5-1)13-14-10-6-2-4-8-12-10/h1-8H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>1.04E+5n/an/an/an/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) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2BZ64NT
More data for this
Ligand-Target Pair