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SMILES: Fc1ccc(SCCc2cc[n+](CC(=O)c3ccccc3)cc2)cc1

InChI Key: InChIKey=OLCUXBBVEMVPJU-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 3 hits for monomerid = 78808   
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
Ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM78808
PNG
(2-[4-[2-(4-fluorophenyl)sulfanylethyl]pyridin-1-iu...)
Show SMILES Fc1ccc(SCCc2cc[n+](CC(=O)c3ccccc3)cc2)cc1
Show InChI InChI=1S/C21H19FNOS/c22-19-6-8-20(9-7-19)25-15-12-17-10-13-23(14-11-17)16-21(24)18-4-2-1-3-5-18/h1-11,13-14H,12,15-16H2/q+1
PDB
MMDB

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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.46E+3n/an/an/an/an/an/a



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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2X34VX0
More data for this
Ligand-Target Pair
Ubiquitin-conjugating enzyme E2 N


(Homo sapiens (Human))
BDBM78808
PNG
(2-[4-[2-(4-fluorophenyl)sulfanylethyl]pyridin-1-iu...)
Show SMILES Fc1ccc(SCCc2cc[n+](CC(=O)c3ccccc3)cc2)cc1
Show InChI InChI=1S/C21H19FNOS/c22-19-6-8-20(9-7-19)25-15-12-17-10-13-23(14-11-17)16-21(24)18-4-2-1-3-5-18/h1-11,13-14H,12,15-16H2/q+1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.02E+3n/an/an/an/an/an/a



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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2SB4462
More data for this
Ligand-Target Pair
Bcl-2-related protein A1


(Mus musculus (Mouse))
BDBM78808
PNG
(2-[4-[2-(4-fluorophenyl)sulfanylethyl]pyridin-1-iu...)
Show SMILES Fc1ccc(SCCc2cc[n+](CC(=O)c3ccccc3)cc2)cc1
Show InChI InChI=1S/C21H19FNOS/c22-19-6-8-20(9-7-19)25-15-12-17-10-13-23(14-11-17)16-21(24)18-4-2-1-3-5-18/h1-11,13-14H,12,15-16H2/q+1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 5.20E+3n/an/an/an/an/an/a



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 CA...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q25D8Q92
More data for this
Ligand-Target Pair