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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for entry = 50045273   
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))
BDBM50054792
PNG
(CHEMBL3341973)
Show SMILES CCCCCCc1cc2ccc(Cl)cc2n1C(=O)C[C@H](C)CC(O)=O |r|
Show InChI InChI=1S/C20H26ClNO3/c1-3-4-5-6-7-17-12-15-8-9-16(21)13-18(15)22(17)19(23)10-14(2)11-20(24)25/h8-9,12-14H,3-7,10-11H2,1-2H3,(H,24,25)/t14-/m0/s1
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
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Article
PubMed
n/an/a 2.20n/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 calcium mobilization by fluorescence assay


ACS Med Chem Lett 5: 815-9 (2014)


Article DOI: 10.1021/ml500161v
BindingDB Entry DOI: 10.7270/Q2H70HHM
More data for this
Ligand-Target Pair
Oxoeicosanoid receptor 1


(Homo sapiens (Human))
BDBM50054794
PNG
(CHEMBL3341971)
Show SMILES CCCCCCc1c(C(=O)C[C@@H](C)CC(O)=O)c2cc(Cl)ccc2n1C |r|
Show InChI InChI=1S/C21H28ClNO3/c1-4-5-6-7-8-18-21(19(24)11-14(2)12-20(25)26)16-13-15(22)9-10-17(16)23(18)3/h9-10,13-14H,4-8,11-12H2,1-3H3,(H,25,26)/t14-/m1/s1
UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 2.70n/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 calcium mobilization by fluorescence assay


ACS Med Chem Lett 5: 815-9 (2014)


Article DOI: 10.1021/ml500161v
BindingDB Entry DOI: 10.7270/Q2H70HHM
More data for this
Ligand-Target Pair
Oxoeicosanoid receptor 1


(Homo sapiens (Human))
BDBM50054793
PNG
(CHEMBL3341972)
Show SMILES CCCCCCc1c(C(=O)C[C@H](C)CC(O)=O)c2cc(Cl)ccc2n1C |r|
Show InChI InChI=1S/C21H28ClNO3/c1-4-5-6-7-8-18-21(19(24)11-14(2)12-20(25)26)16-13-15(22)9-10-17(16)23(18)3/h9-10,13-14H,4-8,11-12H2,1-3H3,(H,25,26)/t14-/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 6n/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 calcium mobilization by fluorescence assay


ACS Med Chem Lett 5: 815-9 (2014)


Article DOI: 10.1021/ml500161v
BindingDB Entry DOI: 10.7270/Q2H70HHM
More data for this
Ligand-Target Pair
Oxoeicosanoid receptor 1


(Homo sapiens (Human))
BDBM50446953
PNG
(CHEMBL3115774)
Show SMILES CCCCCCc1cc2ccc(Cl)cc2n1C(=O)CC(C)CC(O)=O
Show InChI InChI=1S/C20H26ClNO3/c1-3-4-5-6-7-17-12-15-8-9-16(21)13-18(15)22(17)19(23)10-14(2)11-20(24)25/h8-9,12-14H,3-7,10-11H2,1-2H3,(H,24,25)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7n/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 calcium mobilization by fluorescence assay


ACS Med Chem Lett 5: 815-9 (2014)


Article DOI: 10.1021/ml500161v
BindingDB Entry DOI: 10.7270/Q2H70HHM
More data for this
Ligand-Target Pair