BindingDB logo
myBDB logout

BDBM50465684 CHEMBL4291464

SMILES: C[C@@H](CC(O)=O)CC(=O)c1c(CCCCCCc2ccccc2)n(C)c2ccc(Cl)cc12

InChI Key: InChIKey=LSXCAWRVGLPZEY-LJQANCHMSA-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 = 50465684   
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))		BDBM50465684
PNG
(CHEMBL4291464)
Show SMILES C[C@@H](CC(O)=O)CC(=O)c1c(CCCCCCc2ccccc2)n(C)c2ccc(Cl)cc12 |r|
Show InChI InChI=1S/C27H32ClNO3/c1-19(17-26(31)32)16-25(30)27-22-18-21(28)14-15-23(22)29(2)24(27)13-9-4-3-6-10-20-11-7-5-8-12-20/h5,7-8,11-12,14-15,18-19H,3-4,6,9-10,13,16-17H2,1-2H3,(H,31,32)/t19-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 23n/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