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BDBM50239187 CHEBI:30813::DECANOIC ACID::Decanoic Acid::Decanoic Acid Anion

SMILES: CCCCCCCCCC(O)=O

InChI Key: InChIKey=GHVNFZFCNZKVNT-UHFFFAOYSA-N

Data: 1 KI  3 IC50  12 EC50

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 18 hits for monomerid = 50239187   
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
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50239187
PNG
(CHEBI:30813 | DECANOIC ACID | Decanoic Acid | Deca...)
Show SMILES CCCCCCCCCC(O)=O
Show InChI InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)
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UniChem
Article
PubMed
1.78E+3n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-1584 from recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 measured after 6 hrs by scinti...


J Med Chem 63: 2391-2410 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01339
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50239187
PNG
(CHEBI:30813 | DECANOIC ACID | Decanoic Acid | Deca...)
Show SMILES CCCCCCCCCC(O)=O
Show InChI InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)
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UniChem
2.20E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50239187
PNG
(CHEBI:30813 | DECANOIC ACID | Decanoic Acid | Deca...)
Show SMILES CCCCCCCCCC(O)=O
Show InChI InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)
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UniChem
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n/an/an/an/a 6.08E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human GPR84 expressed in CHO cells assessed as beta-arrestin recruitment after 90 mins by beta-galactosidase complementation assa...


J Med Chem 60: 3636-3655 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01593
BindingDB Entry DOI: 10.7270/Q289180W
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50239187
PNG
(CHEBI:30813 | DECANOIC ACID | Decanoic Acid | Deca...)
Show SMILES CCCCCCCCCC(O)=O
Show InChI InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)
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UniChem
Article
n/an/a 3.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]BRL49653 from Homo sapiens (human) PPARgamma receptor by scintillation proximity assay


Citation and Details

Article DOI: 10.1007/s00044-012-0285-6
BindingDB Entry DOI: 10.7270/Q2MG7SDK
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50239187
PNG
(CHEBI:30813 | DECANOIC ACID | Decanoic Acid | Deca...)
Show SMILES CCCCCCCCCC(O)=O
Show InChI InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)
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n/an/a 3.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]GW2331 from Homo sapiens (human) PPARalpha receptor by scintillation proximity assay


Citation and Details

Article DOI: 10.1007/s00044-012-0285-6
BindingDB Entry DOI: 10.7270/Q2MG7SDK
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50239187
PNG
(CHEBI:30813 | DECANOIC ACID | Decanoic Acid | Deca...)
Show SMILES CCCCCCCCCC(O)=O
Show InChI InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)
PDB

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MCE
KEGG
PC cid
PC sid
UniChem
Article
n/an/a 3.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]GW2433 from Homo sapiens (human) PPARdelta receptor by scintillation proximity assay


Citation and Details

Article DOI: 10.1007/s00044-012-0285-6
BindingDB Entry DOI: 10.7270/Q2MG7SDK
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50239187
PNG
(CHEBI:30813 | DECANOIC ACID | Decanoic Acid | Deca...)
Show SMILES CCCCCCCCCC(O)=O
Show InChI InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)
UniProtKB/SwissProt

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MCE
KEGG
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PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.00E+4n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human N-terminal epitope tagged/C-terminal eYFP-fused FLAG-tagged GPR84 expressed in Flp-In TREx 293 cell membranes a...


J Med Chem 63: 2391-2410 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01339
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50239187
PNG
(CHEBI:30813 | DECANOIC ACID | Decanoic Acid | Deca...)
Show SMILES CCCCCCCCCC(O)=O
Show InChI InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)
UniProtKB/SwissProt

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KEGG
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UniChem
Article
PubMed
n/an/an/an/a 4.60E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human N-terminal FLAG-tagged GPR84 receptor stably expressed in CHO cells assessed as inhibition of forskolin-induced cAMP produc...


J Med Chem 63: 2391-2410 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01339
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50239187
PNG
(CHEBI:30813 | DECANOIC ACID | Decanoic Acid | Deca...)
Show SMILES CCCCCCCCCC(O)=O
Show InChI InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)
UniProtKB/SwissProt

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MCE
KEGG
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UniChem
Article
PubMed
n/an/an/an/a 4.60E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human N-terminal FLAG-tagged GPR84 receptor stably expressed in CHO cell membranes assessed as stimulation of [35S]GTPgammaS bind...


J Med Chem 63: 2391-2410 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01339
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50239187
PNG
(CHEBI:30813 | DECANOIC ACID | Decanoic Acid | Deca...)
Show SMILES CCCCCCCCCC(O)=O
Show InChI InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)
UniProtKB/SwissProt

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UniChem
Article
PubMed
n/an/an/an/a 2.50E+4n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human N-terminal epitope tagged/C-terminal eYFP-fused FLAG-tagged GPR84 expressed in Flp-In TREx 293 cell membranes a...


J Med Chem 63: 2391-2410 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01339
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50239187
PNG
(CHEBI:30813 | DECANOIC ACID | Decanoic Acid | Deca...)
Show SMILES CCCCCCCCCC(O)=O
Show InChI InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)
UniProtKB/SwissProt

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KEGG
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UniChem
Article
PubMed
n/an/an/an/a 1.00E+4n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GPR84 expressed in HEK293 cells assessed as beta-arrestin 2 recruitment by beta-galactosidase based PathHunter ...


J Med Chem 63: 2391-2410 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01339
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50239187
PNG
(CHEBI:30813 | DECANOIC ACID | Decanoic Acid | Deca...)
Show SMILES CCCCCCCCCC(O)=O
Show InChI InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)
UniProtKB/SwissProt

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MCE
KEGG
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UniChem
Article
PubMed
n/an/an/an/a 4.80E+4n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human Gi1alpha-coupled GPR84 expressed in baculovirus infected Sf9 insect cells assessed as stimulation of [35S]GTPgammaS binding...


J Med Chem 63: 2391-2410 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01339
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50239187
PNG
(CHEBI:30813 | DECANOIC ACID | Decanoic Acid | Deca...)
Show SMILES CCCCCCCCCC(O)=O
Show InChI InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)
UniProtKB/SwissProt

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MCE
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.00E+4n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human N-terminally HA-tagged GPR84 expressed in CHO cells co-expressing Gqi5 assessed as inhibition of forskolin-indu...


J Med Chem 63: 2391-2410 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01339
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50239187
PNG
(CHEBI:30813 | DECANOIC ACID | Decanoic Acid | Deca...)
Show SMILES CCCCCCCCCC(O)=O
Show InChI InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)
UniProtKB/SwissProt

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MCE
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UniChem
Article
PubMed
n/an/an/an/a 4.80E+4n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GPR84 expressed in CHO cells co-expressing Galpha16/Gqs5/Gqo5/Gqi9 assessed as increase in calcium mobilization...


J Med Chem 63: 2391-2410 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01339
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50239187
PNG
(CHEBI:30813 | DECANOIC ACID | Decanoic Acid | Deca...)
Show SMILES CCCCCCCCCC(O)=O
Show InChI InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)
PDB
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KEGG

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UniChem
n/an/an/an/a 7.60E+3n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50239187
PNG
(CHEBI:30813 | DECANOIC ACID | Decanoic Acid | Deca...)
Show SMILES CCCCCCCCCC(O)=O
Show InChI InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)
UniProtKB/SwissProt

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MCE
KEGG
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UniChem
Article
PubMed
n/an/an/an/a 4.50E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human N-terminal-FLAG-tagged human GPR84 expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation pre...


J Med Chem 60: 3636-3655 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01593
BindingDB Entry DOI: 10.7270/Q289180W
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50239187
PNG
(CHEBI:30813 | DECANOIC ACID | Decanoic Acid | Deca...)
Show SMILES CCCCCCCCCC(O)=O
Show InChI InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)
UniProtKB/SwissProt

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MCE
KEGG
PC cid
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UniChem
Article
PubMed
n/an/an/an/a 7.42E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at Gi coupled human GPR84 expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 15 mins in pres...


J Med Chem 60: 3636-3655 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01593
BindingDB Entry DOI: 10.7270/Q289180W
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50239187
PNG
(CHEBI:30813 | DECANOIC ACID | Decanoic Acid | Deca...)
Show SMILES CCCCCCCCCC(O)=O
Show InChI InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)
UniProtKB/SwissProt

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MCE
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.00E+4n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human GPR84 assessed as beta-arrestin recruitment by beta-galactosidase complementation assay


J Med Chem 60: 3636-3655 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01593
BindingDB Entry DOI: 10.7270/Q289180W
More data for this
Ligand-Target Pair