BindingDB logo
myBDB logout

BDBM50465680 CHEMBL4278772

SMILES: CC(CC(O)=O)CC(=O)c1c(CCCCCC(F)(F)F)n(C)c2ccc(Cl)cc12

InChI Key: InChIKey=QJQXCFTWJLJMSB-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 = 50465680   
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


(Homo sapiens (Human))		BDBM50465680
PNG
(CHEMBL4278772)
Show SMILES CC(CC(O)=O)CC(=O)c1c(CCCCCC(F)(F)F)n(C)c2ccc(Cl)cc12
Show InChI InChI=1S/C21H25ClF3NO3/c1-13(11-19(28)29)10-18(27)20-15-12-14(22)7-8-16(15)26(2)17(20)6-4-3-5-9-21(23,24)25/h7-8,12-13H,3-6,9-11H2,1-2H3,(H,28,29)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 38n/an/an/an/an/an/a



Florida Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at OXE receptor in human neutrophils assessed as inhibition of 5-oxo-ETE-induced calcium mobilization incubated for 2 mins follow...

J Med Chem 61: 5934-5948 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00154
BindingDB Entry DOI: 10.7270/Q22F7R48
More data for this
Ligand-Target Pair