Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 517.5 BDBM50096362

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

Found 5 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
Probable G-protein coupled receptor 34 (Homo sapiens (Human))	BDBM50096362 (CHEMBL3577178) Show SMILES CCCCCCCCCOc1ccccc1CCC(=O)OCCCOP(O)(=O)OC[C@H](N)C(O)=O |r| Show InChI InChI=1S/C24H40NO9P/c1-2-3-4-5-6-7-10-16-31-22-13-9-8-12-20(22)14-15-23(26)32-17-11-18-33-35(29,30)34-19-21(25)24(27)28/h8-9,12-13,21H,2-7,10-11,14-19,25H2,1H3,(H,27,28)(H,29,30)/t21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.82E+3	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Agonist activity at GPR34 (unknown origin) transfected in HEK293A cells after 1 hr by TGFalpha shedding assay				J Med Chem 58: 4204-19 (2015) Article DOI: 10.1021/jm5020082 BindingDB Entry DOI: 10.7270/Q2Q81FTD
					More data for this Ligand-Target Pair
Putative P2Y purinoceptor 10 (Homo sapiens (Human))	BDBM50096362 (CHEMBL3577178) Show SMILES CCCCCCCCCOc1ccccc1CCC(=O)OCCCOP(O)(=O)OC[C@H](N)C(O)=O |r| Show InChI InChI=1S/C24H40NO9P/c1-2-3-4-5-6-7-10-16-31-22-13-9-8-12-20(22)14-15-23(26)32-17-11-18-33-35(29,30)34-19-21(25)24(27)28/h8-9,12-13,21H,2-7,10-11,14-19,25H2,1H3,(H,27,28)(H,29,30)/t21-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.70	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Agonist activity at P2Y10 (unknown origin) transfected in HEK293A cells after 1 hr by TGFalpha shedding assay				J Med Chem 58: 4204-19 (2015) Article DOI: 10.1021/jm5020082 BindingDB Entry DOI: 10.7270/Q2Q81FTD
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 174 (Homo sapiens (Human))	BDBM50096362 (CHEMBL3577178) Show SMILES CCCCCCCCCOc1ccccc1CCC(=O)OCCCOP(O)(=O)OC[C@H](N)C(O)=O |r| Show InChI InChI=1S/C24H40NO9P/c1-2-3-4-5-6-7-10-16-31-22-13-9-8-12-20(22)14-15-23(26)32-17-11-18-33-35(29,30)34-19-21(25)24(27)28/h8-9,12-13,21H,2-7,10-11,14-19,25H2,1H3,(H,27,28)(H,29,30)/t21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Agonist activity at GPR174 (unknown origin) transfected in HEK293FT cells after 1 hr by TGFalpha shedding assay				J Med Chem 58: 4204-19 (2015) Article DOI: 10.1021/jm5020082 BindingDB Entry DOI: 10.7270/Q2Q81FTD
					More data for this Ligand-Target Pair
Putative P2Y purinoceptor 10 (Homo sapiens (Human))	BDBM50096362 (CHEMBL3577178) Show SMILES CCCCCCCCCOc1ccccc1CCC(=O)OCCCOP(O)(=O)OC[C@H](N)C(O)=O |r| Show InChI InChI=1S/C24H40NO9P/c1-2-3-4-5-6-7-10-16-31-22-13-9-8-12-20(22)14-15-23(26)32-17-11-18-33-35(29,30)34-19-21(25)24(27)28/h8-9,12-13,21H,2-7,10-11,14-19,25H2,1H3,(H,27,28)(H,29,30)/t21-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.70	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Agonist activity at P2Y10 (unknown origin) transfected in HEK293A cells after 1 hr by TGFalpha shedding assay				J Med Chem 58: 4204-19 (2015) Article DOI: 10.1021/jm5020082 BindingDB Entry DOI: 10.7270/Q2Q81FTD
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 34 (Homo sapiens (Human))	BDBM50096362 (CHEMBL3577178) Show SMILES CCCCCCCCCOc1ccccc1CCC(=O)OCCCOP(O)(=O)OC[C@H](N)C(O)=O |r| Show InChI InChI=1S/C24H40NO9P/c1-2-3-4-5-6-7-10-16-31-22-13-9-8-12-20(22)14-15-23(26)32-17-11-18-33-35(29,30)34-19-21(25)24(27)28/h8-9,12-13,21H,2-7,10-11,14-19,25H2,1H3,(H,27,28)(H,29,30)/t21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Agonist activity at GPR34 (unknown origin) transfected in HEK293A cells after 1 hr by TGFalpha shedding assay				J Med Chem 58: 4204-19 (2015) Article DOI: 10.1021/jm5020082 BindingDB Entry DOI: 10.7270/Q2Q81FTD
					More data for this Ligand-Target Pair