Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 199.3 BDBM23434Purchase

Wt: 200.3 BDBM50180948Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 11 hits in this display   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50180948 (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	2.17E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50180948 (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 AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	Article	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/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
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50180948 (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 AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	Article	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/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 gamma (Homo sapiens (Human))	BDBM50180948 (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 AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	Article	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/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
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50180948 (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/a	n/a	n/a	n/a	8.80E+3	n/a	n/a	n/a	n/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 (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/a	n/a	n/a	n/a	1.05E+4	n/a	n/a	n/a	n/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
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Aquifex aeolicus)	BDBM23434 (dodecanoate | dodecanoate, 3) 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)/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	900	n/a	n/a	n/a	7.0	30
University of San Francisco					Assay Description Ligand binding to A. aeolicus LpxC was assayed by isothermal titration using isothermal microcalorimeter from Microcal, Inc. (Northampton, MA). The e...				Bioorg Med Chem 15: 2617-23 (2007) Article DOI: 10.1016/j.bmc.2007.01.044 BindingDB Entry DOI: 10.7270/Q2TT4P8Q
					More data for this Ligand-Target Pair
G-protein coupled receptor 84 (Homo sapiens (Human))	BDBM50180948 (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/a	n/a	n/a	n/a	8.87E+3	n/a	n/a	n/a	n/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 (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/a	n/a	n/a	n/a	3.49E+3	n/a	n/a	n/a	n/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
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50180948 (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 AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	759	n/a	n/a	n/a	n/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
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50180948 (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 AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.94E+3	n/a	n/a	n/a	n/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