BindingDB logo
myBDB logout

BDBM50446967 CHEMBL3115780

SMILES: CCCCCCc1cc2ccccc2n1C(=O)CC1(CC(O)=O)CC1

InChI Key: InChIKey=QWKSDBHHSKTVRG-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50446967   
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
TG 1019


(HUMAN)
BDBM50446967
PNG
(CHEMBL3115780)
Show SMILES CCCCCCc1cc2ccccc2n1C(=O)CC1(CC(O)=O)CC1
Show InChI InChI=1S/C21H27NO3/c1-2-3-4-5-9-17-13-16-8-6-7-10-18(16)22(17)19(23)14-21(11-12-21)15-20(24)25/h6-8,10,13H,2-5,9,11-12,14-15H2,1H3,(H,24,25)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.63E+3n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Antagonist activity at OXE receptor (unknown origin) expressed in indo-1 loaded neutrophils assessed as inhibition of 5-oxo-ETE-induced calcium mobil...


J Med Chem 57: 364-77 (2014)

More data for this
Ligand-Target Pair