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2 similar compounds to monomer 50180950

Compile data set for download or QSAR
Wt: 200.3
BDBM50180948
Wt: 281.2
BDBM50180951

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50180948,50180951   
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
Free fatty acid receptor 1


(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

antibodypedia
GoogleScholar
KEGG
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/an/a 7.94E+3n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at human C-terminal eYFP-tagged FFA1 receptor expressed in HEK-293 cells assessed as beta-arrestin2 recruitment incubated for 5 mins...


J Med Chem 59: 4849-58 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00202
BindingDB Entry DOI: 10.7270/Q24T6M9W
More data for this
Ligand-Target Pair
Free fatty acid receptor 1


(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

antibodypedia
GoogleScholar
KEGG
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/an/a 759n/an/an/an/a



University of Southern Denmark

Curated by ChEMBL


Assay Description
Agonist activity at FFA1 receptor (unknown origin) expressed in human 132N1 cells measured for 90 secs by Fura-2 AM dye based calcium mobilization as...


J Med Chem 59: 4849-58 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00202
BindingDB Entry DOI: 10.7270/Q24T6M9W
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50180951
PNG
(CHEMBL3818465)
Show SMILES ONC(=O)CCC(Cc1ccc(cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C13H15NO6/c15-11(14-20)6-5-10(13(18)19)7-8-1-3-9(4-2-8)12(16)17/h1-4,10,20H,5-7H2,(H,14,15)(H,16,17)(H,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 63n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GCP2 expressed in Schneider 2 cells preincubated for 15 mins using [3H]-NAAG/NAAG as substrate measured after 20 mins...


J Med Chem 59: 4539-50 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01806
BindingDB Entry DOI: 10.7270/Q2154JZB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor


(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
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
KEGG
PC cid
PC sid
PDB
UniChem

Similars

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
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(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
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
KEGG
PC cid
PC sid
PDB
UniChem

Similars

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
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(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
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
KEGG
PC cid
PC sid
PDB
UniChem

Similars

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
More data for this
Ligand-Target Pair
Glutamate carboxypeptidase II


(Homo sapiens (Human))
BDBM50180951
PNG
(CHEMBL3818465)
Show SMILES ONC(=O)CCC(Cc1ccc(cc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C13H15NO6/c15-11(14-20)6-5-10(13(18)19)7-8-1-3-9(4-2-8)12(16)17/h1-4,10,20H,5-7H2,(H,14,15)(H,16,17)(H,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of recombinant human glutamate carboxypeptidase 2 (44 to 750 residues) overexpressed in Drosophila Schneider S2 cells using [3H]-NAAG/NAAG...


J Med Chem 60: 7799-7809 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00825
BindingDB Entry DOI: 10.7270/Q2FJ2JW6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)