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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'G-protein coupled receptor 84' and Ligand = 'BDBM50180948'   
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
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50180948
PNG
(CHEBI:30805 | DODECANOATE | Dodecanoic Acid | Dode...)
Show SMILES CCCCCCCCCCCC(O)=O
Show InChI InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)
PDB

UniProtKB/SwissProt

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MCE
KEGG
PC cid
PC sid
PDB
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Article
PubMed
2.17E+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
BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50180948
PNG
(CHEBI:30805 | DODECANOATE | Dodecanoic Acid | Dode...)
Show SMILES CCCCCCCCCCCC(O)=O
Show InChI InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)
PDB

UniProtKB/SwissProt

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MCE
KEGG
PC cid
PC sid
PDB
UniChem

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Article
PubMed
n/an/an/an/a 1.05E+4n/an/an/an/a


TBA

Assay Description
Agonist activity at human GPR84 expressed in CHO cell membranes assessed as induction of [35S]GTPgammaS incorporation incubated for 1 hr by liquid sc...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01378
BindingDB Entry DOI: 10.7270/Q2VH5SHP
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50180948
PNG
(CHEBI:30805 | DODECANOATE | Dodecanoic Acid | Dode...)
Show SMILES CCCCCCCCCCCC(O)=O
Show InChI InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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MCE
KEGG
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/an/a 8.80E+3n/an/an/an/a


TBA

Assay Description
Agonist activity at human GPR84 expressed in CHO cells assessed as reduction in forskolin-stimulated cAMP production preincubated for 20 mins followe...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01378
BindingDB Entry DOI: 10.7270/Q2VH5SHP
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50180948
PNG
(CHEBI:30805 | DODECANOATE | Dodecanoic Acid | Dode...)
Show SMILES CCCCCCCCCCCC(O)=O
Show InChI InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/an/a 8.87E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 assessed as inhibition of forskolin-stimulat...


J Med Chem 63: 2391-2410 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01339
BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
More data for this
Ligand-Target Pair
G-protein coupled receptor 84


(Homo sapiens (Human))
BDBM50180948
PNG
(CHEBI:30805 | DODECANOATE | Dodecanoic Acid | Dode...)
Show SMILES CCCCCCCCCCCC(O)=O
Show InChI InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/an/a 3.49E+3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GPR84 expressed in CHO cell membranes co-expressing beta-arrestin2 assessed as beta-arrestin 2 recruitment meas...


J Med Chem 63: 2391-2410 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01339
BindingDB Entry DOI: 10.7270/Q2FJ2M3Q
More data for this
Ligand-Target Pair