BindingDB logo
myBDB logout

BDBM94713 1-[3-(4-isopropoxyphenoxy)propyl]azepane oxalate::1-[3-(4-isopropoxyphenoxy)propyl]azepane;oxalic acid::MLS000534828::SMR000142185::cid_2943881::ethanedioic acid;1-[3-(4-propan-2-yloxyphenoxy)propyl]azepane::oxalic acid;1-[3-(4-propan-2-yloxyphenoxy)propyl]azepane

SMILES: CC(C)Oc1ccc(OCCCN2CCCCCC2)cc1

InChI Key: InChIKey=KSKZEJWWIQDNQV-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 94713   
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
LARGE


(Homo sapiens (Human))		BDBM94713
PNG
(1-[3-(4-isopropoxyphenoxy)propyl]azepane oxalate |...)
Show SMILES CC(C)Oc1ccc(OCCCN2CCCCCC2)cc1
Show InChI InChI=1S/C18H29NO2/c1-16(2)21-18-10-8-17(9-11-18)20-15-7-14-19-12-5-3-4-6-13-19/h8-11,16H,3-7,12-15H2,1-2H3
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.24E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2VT1QQ4
More data for this
Ligand-Target Pair