Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 581.5 BDBM50096503

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

Found 4 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
Putative P2Y purinoceptor 10 (Homo sapiens (Human))	BDBM50096503 (CHEMBL3577262) Show SMILES CCCCCCCCCCCOc1ccccc1CCC(=O)OCC(F)(F)COP(O)(=O)OC[C@H](N)C(O)=O |r| Show InChI InChI=1S/C26H42F2NO9P/c1-2-3-4-5-6-7-8-9-12-17-35-23-14-11-10-13-21(23)15-16-24(30)36-19-26(27,28)20-38-39(33,34)37-18-22(29)25(31)32/h10-11,13-14,22H,2-9,12,15-20,29H2,1H3,(H,31,32)(H,33,34)/t22-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.30	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))	BDBM50096503 (CHEMBL3577262) Show SMILES CCCCCCCCCCCOc1ccccc1CCC(=O)OCC(F)(F)COP(O)(=O)OC[C@H](N)C(O)=O |r| Show InChI InChI=1S/C26H42F2NO9P/c1-2-3-4-5-6-7-8-9-12-17-35-23-14-11-10-13-21(23)15-16-24(30)36-19-26(27,28)20-38-39(33,34)37-18-22(29)25(31)32/h10-11,13-14,22H,2-9,12,15-20,29H2,1H3,(H,31,32)(H,33,34)/t22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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))	BDBM50096503 (CHEMBL3577262) Show SMILES CCCCCCCCCCCOc1ccccc1CCC(=O)OCC(F)(F)COP(O)(=O)OC[C@H](N)C(O)=O |r| Show InChI InChI=1S/C26H42F2NO9P/c1-2-3-4-5-6-7-8-9-12-17-35-23-14-11-10-13-21(23)15-16-24(30)36-19-26(27,28)20-38-39(33,34)37-18-22(29)25(31)32/h10-11,13-14,22H,2-9,12,15-20,29H2,1H3,(H,31,32)(H,33,34)/t22-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.30	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))	BDBM50096503 (CHEMBL3577262) Show SMILES CCCCCCCCCCCOc1ccccc1CCC(=O)OCC(F)(F)COP(O)(=O)OC[C@H](N)C(O)=O |r| Show InChI InChI=1S/C26H42F2NO9P/c1-2-3-4-5-6-7-8-9-12-17-35-23-14-11-10-13-21(23)15-16-24(30)36-19-26(27,28)20-38-39(33,34)37-18-22(29)25(31)32/h10-11,13-14,22H,2-9,12,15-20,29H2,1H3,(H,31,32)(H,33,34)/t22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 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