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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Oxoeicosanoid receptor 1' and Ligand = 'BDBM50465689'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Oxoeicosanoid receptor 1


(Homo sapiens (Human))		BDBM50465689
PNG
(CHEMBL4285167)
Show SMILES C[C@H](CC(O)=O)CC(=O)c1c([C@H](O)CCCCCc2ccccc2)n(C)c2ccc(Cl)cc12 |r|
Show InChI InChI=1S/C27H32ClNO4/c1-18(16-25(32)33)15-24(31)26-21-17-20(28)13-14-22(21)29(2)27(26)23(30)12-8-4-7-11-19-9-5-3-6-10-19/h3,5-6,9-10,13-14,17-18,23,30H,4,7-8,11-12,15-16H2,1-2H3,(H,32,33)/t18-,23+/m0/s1
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 260n/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