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BDBM50446953 CHEMBL3115774

SMILES: CCCCCCc1cc2ccc(Cl)cc2n1C(=O)CC(C)CC(O)=O

InChI Key: InChIKey=HIVUMAXJGBETMO-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50446953   
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)
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

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PC sid
UniChem

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Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Florida Institute of Technology

Curated by ChEMBL


Assay Description
Antagonist activity at 5-oxo-ETE receptor in human neutrophils assessed as inhibition of 5-oxo-ETE-induced Ca2+ mobilization incubated for 2 mins pri...


Bioorg Med Chem Lett 24: 3385-8 (2014)

More data for this
Ligand-Target Pair
TG 1019


(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

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CHEMBL
PC cid
PC sid
UniChem

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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)

More data for this
Ligand-Target Pair
TG 1019


(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

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 402n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Antagonist activity at OXE receptor (unknown origin) expressed in neutrophils assessed as inhibition of 5-oxo-ETE-induced cell migration after 2 hrs ...


J Med Chem 57: 364-77 (2014)

More data for this
Ligand-Target Pair
TG 1019


(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

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7n/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
TG 1019


(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

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 28n/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
TG 1019


(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

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.18E+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
TG 1019


(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

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Antagonist activity at OXE receptor (unknown origin) expressed in anti-CD49d-labeled eosinophils assessed as inhibition of 5-oxo-ETE-induced F-actin ...


J Med Chem 57: 364-77 (2014)

More data for this
Ligand-Target Pair