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BDBM34642 2-sulfanylidene-5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridine-3-carbonitrile::2-thioxo-5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridine-3-carbonitrile::MLS000112612::SMR000108524::cid_1603379

SMILES: S=c1[nH]c2CCCCCCc2cc1C#N

InChI Key: InChIKey=KJZGSJGINZZEDY-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 34642   
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
poly(A) binding protein, cytoplasmic 1


(Homo sapiens (Human))
BDBM34642
PNG
(2-sulfanylidene-5,6,7,8,9,10-hexahydro-1H-cyclooct...)
Show SMILES S=c1[nH]c2CCCCCCc2cc1C#N
Show InChI InChI=1S/C12H14N2S/c13-8-10-7-9-5-3-1-2-4-6-11(9)14-12(10)15/h7H,1-6H2,(H,14,15)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>6.60E+4n/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, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2V40ST1
More data for this
Ligand-Target Pair
MPI protein


(Homo sapiens (Human))
BDBM34642
PNG
(2-sulfanylidene-5,6,7,8,9,10-hexahydro-1H-cyclooct...)
Show SMILES S=c1[nH]c2CCCCCCc2cc1C#N
Show InChI InChI=1S/C12H14N2S/c13-8-10-7-9-5-3-1-2-4-6-11(9)14-12(10)15/h7H,1-6H2,(H,14,15)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>5.00E+4n/an/an/an/a7.423



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
The purpose of this assay is to identify non-competititve inhibitors of human PMI. This is accomplished by using a G6PD- NADPH-coupled assay. In the ...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2CF9NFM
More data for this
Ligand-Target Pair