Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 509.5 BDBM50096435

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))	BDBM50096435 (CHEMBL3577163) Show SMILES CCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)O[C@@H](C)[C@H](N)C(O)=O |r| Show InChI InChI=1S/C23H44NO9P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(26)31-17-20(25)18-32-34(29,30)33-19(2)22(24)23(27)28/h8-9,19-20,22,25H,3-7,10-18,24H2,1-2H3,(H,27,28)(H,29,30)/b9-8-/t19-,20+,22-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.04E+3	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))	BDBM50096435 (CHEMBL3577163) Show SMILES CCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)O[C@@H](C)[C@H](N)C(O)=O |r| Show InChI InChI=1S/C23H44NO9P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(26)31-17-20(25)18-32-34(29,30)33-19(2)22(24)23(27)28/h8-9,19-20,22,25H,3-7,10-18,24H2,1-2H3,(H,27,28)(H,29,30)/b9-8-/t19-,20+,22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	580	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))	BDBM50096435 (CHEMBL3577163) Show SMILES CCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)O[C@@H](C)[C@H](N)C(O)=O |r| Show InChI InChI=1S/C23H44NO9P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(26)31-17-20(25)18-32-34(29,30)33-19(2)22(24)23(27)28/h8-9,19-20,22,25H,3-7,10-18,24H2,1-2H3,(H,27,28)(H,29,30)/b9-8-/t19-,20+,22-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.10E+3	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))	BDBM50096435 (CHEMBL3577163) Show SMILES CCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)O[C@@H](C)[C@H](N)C(O)=O |r| Show InChI InChI=1S/C23H44NO9P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(26)31-17-20(25)18-32-34(29,30)33-19(2)22(24)23(27)28/h8-9,19-20,22,25H,3-7,10-18,24H2,1-2H3,(H,27,28)(H,29,30)/b9-8-/t19-,20+,22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	589	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