BindingDB logo
myBDB logout

BDBM46979 1,4,10-Trioxa-7,13-diaza-cyclopentadecane-7,13-dicarbothioic acid bis-cyclohexylamide::7-N,13-N-dicyclohexyl-1,4,10-trioxa-7,13-diazacyclopentadecane-7,13-dicarbothioamide::MLS000767389::N,N'-dicyclohexyl-1,4,10-trioxa-7,13-diazacyclopentadecane-7,13-dicarbothioamide::N7,N13-dicyclohexyl-1,4,10-trioxa-7,13-diazacyclopentadecane-7,13-dicarbothioamide::SMR000429720::cid_3696234

SMILES: S=C(NC1CCCCC1)N1CCOCCOCCN(CCOCC1)C(=S)NC1CCCCC1

InChI Key: InChIKey=ZMNXMOKINXYKQK-UHFFFAOYSA-N

Data: 2 EC50

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 = 46979   
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
transient receptor potential cation channel, subfamily N, member 1


(Danio rerio)
BDBM46979
PNG
(1,4,10-Trioxa-7,13-diaza-cyclopentadecane-7,13-dic...)
Show SMILES S=C(NC1CCCCC1)N1CCOCCOCCN(CCOCC1)C(=S)NC1CCCCC1
Show InChI InChI=1S/C24H44N4O3S2/c32-23(25-21-7-3-1-4-8-21)27-11-15-29-16-12-28(14-18-31-20-19-30-17-13-27)24(33)26-22-9-5-2-6-10-22/h21-22H,1-20H2,(H,25,32)(H,26,33)
KEGG

UniProtKB/TrEMBL

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.99E+4n/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) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2Z60MG3
More data for this
Ligand-Target Pair
MCOLN3 protein


(Homo sapiens (Human))
BDBM46979
PNG
(1,4,10-Trioxa-7,13-diaza-cyclopentadecane-7,13-dic...)
Show SMILES S=C(NC1CCCCC1)N1CCOCCOCCN(CCOCC1)C(=S)NC1CCCCC1
Show InChI InChI=1S/C24H44N4O3S2/c32-23(25-21-7-3-1-4-8-21)27-11-15-29-16-12-28(14-18-31-20-19-30-17-13-27)24(33)26-22-9-5-2-6-10-22/h21-22H,1-20H2,(H,25,32)(H,26,33)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.04E+4n/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) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q21834W4
More data for this
Ligand-Target Pair