BindingDB logo
myBDB logout

BDBM73215 7,13-bis(4-nitrobenzyl)-1,4,10-trioxa-7,13-diazacyclopentadecane;2,2,2-trifluoroacetic acid::7,13-bis[(4-nitrophenyl)methyl]-1,4,10-trioxa-7,13-diazacyclopentadecane;2,2,2-trifluoroacetic acid::7,13-bis[(4-nitrophenyl)methyl]-1,4,10-trioxa-7,13-diazacyclopentadecane;2,2,2-tris(fluoranyl)ethanoic acid::CHEMBL1401670::VU0277590-7::cid_44176372

SMILES: [O-][N+](=O)c1ccc(CN2CCOCCOCCN(Cc3ccc(cc3)[N+]([O-])=O)CCOCC2)cc1

InChI Key: InChIKey=UKMHVECLTZDSBD-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 73215   
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
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM73215
PNG
(7,13-bis(4-nitrobenzyl)-1,4,10-trioxa-7,13-diazacy...)
Show SMILES [O-][N+](=O)c1ccc(CN2CCOCCOCCN(Cc3ccc(cc3)[N+]([O-])=O)CCOCC2)cc1
Show InChI InChI=1S/C24H32N4O7/c29-27(30)23-5-1-21(2-6-23)19-25-9-13-33-14-10-26(12-16-35-18-17-34-15-11-25)20-22-3-7-24(8-4-22)28(31)32/h1-8H,9-20H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 273n/an/an/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: Jerod Denton Assay Provider Affiliation: Vanderbilt University Grant Title: High throughput discovery of novel modulators of ROMK K+ ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2RX99J2
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(Rattus norvegicus (Rat))
BDBM73215
PNG
(7,13-bis(4-nitrobenzyl)-1,4,10-trioxa-7,13-diazacy...)
Show SMILES [O-][N+](=O)c1ccc(CN2CCOCCOCCN(Cc3ccc(cc3)[N+]([O-])=O)CCOCC2)cc1
Show InChI InChI=1S/C24H32N4O7/c29-27(30)23-5-1-21(2-6-23)19-25-9-13-33-14-10-26(12-16-35-18-17-34-15-11-25)20-22-3-7-24(8-4-22)28(31)32/h1-8H,9-20H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 294n/an/an/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Inhibition of rat ROMK1 expressed in HEK293 cells by Tl+ flux assay


J Med Chem 62: 8682-8694 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01891
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM73215
PNG
(7,13-bis(4-nitrobenzyl)-1,4,10-trioxa-7,13-diazacy...)
Show SMILES [O-][N+](=O)c1ccc(CN2CCOCCOCCN(Cc3ccc(cc3)[N+]([O-])=O)CCOCC2)cc1
Show InChI InChI=1S/C24H32N4O7/c29-27(30)23-5-1-21(2-6-23)19-25-9-13-33-14-10-26(12-16-35-18-17-34-15-11-25)20-22-3-7-24(8-4-22)28(31)32/h1-8H,9-20H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 290n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ROMK


ACS Med Chem Lett 3: 367-372 (2012)


Article DOI: 10.1021/ml3000066
BindingDB Entry DOI: 10.7270/Q2MK6DZV
More data for this
Ligand-Target Pair