Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 574.6 BDBM50096586

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 174 (Homo sapiens (Human))	BDBM50096586 (CHEMBL3577265) Show SMILES CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(O)(=O)O[C@@H](C)[C@H](N)C(O)=O)c1 |r| Show InChI InChI=1S/C27H47N2O9P/c1-3-4-5-6-7-8-9-10-11-17-36-24-14-12-13-22(18-24)15-16-25(31)29-19-23(30)20-37-39(34,35)38-21(2)26(28)27(32)33/h12-14,18,21,23,26,30H,3-11,15-17,19-20,28H2,1-2H3,(H,29,31)(H,32,33)(H,34,35)/t21-,23+,26-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	31	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))	BDBM50096586 (CHEMBL3577265) Show SMILES CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(O)(=O)O[C@@H](C)[C@H](N)C(O)=O)c1 |r| Show InChI InChI=1S/C27H47N2O9P/c1-3-4-5-6-7-8-9-10-11-17-36-24-14-12-13-22(18-24)15-16-25(31)29-19-23(30)20-37-39(34,35)38-21(2)26(28)27(32)33/h12-14,18,21,23,26,30H,3-11,15-17,19-20,28H2,1-2H3,(H,29,31)(H,32,33)(H,34,35)/t21-,23+,26-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG 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 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 (Mus musculus)	BDBM50096586 (CHEMBL3577265) Show SMILES CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(O)(=O)O[C@@H](C)[C@H](N)C(O)=O)c1 |r| Show InChI InChI=1S/C27H47N2O9P/c1-3-4-5-6-7-8-9-10-11-17-36-24-14-12-13-22(18-24)15-16-25(31)29-19-23(30)20-37-39(34,35)38-21(2)26(28)27(32)33/h12-14,18,21,23,26,30H,3-11,15-17,19-20,28H2,1-2H3,(H,29,31)(H,32,33)(H,34,35)/t21-,23+,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	34	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00347 BindingDB Entry DOI: 10.7270/Q2V69PNN
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 174 (Mus musculus)	BDBM50096586 (CHEMBL3577265) Show SMILES CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(O)(=O)O[C@@H](C)[C@H](N)C(O)=O)c1 |r| Show InChI InChI=1S/C27H47N2O9P/c1-3-4-5-6-7-8-9-10-11-17-36-24-14-12-13-22(18-24)15-16-25(31)29-19-23(30)20-37-39(34,35)38-21(2)26(28)27(32)33/h12-14,18,21,23,26,30H,3-11,15-17,19-20,28H2,1-2H3,(H,29,31)(H,32,33)(H,34,35)/t21-,23+,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	34	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00347 BindingDB Entry DOI: 10.7270/Q2V69PNN
					More data for this Ligand-Target Pair
Probable G-protein coupled receptor 174 (Homo sapiens (Human))	BDBM50096586 (CHEMBL3577265) Show SMILES CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(O)(=O)O[C@@H](C)[C@H](N)C(O)=O)c1 |r| Show InChI InChI=1S/C27H47N2O9P/c1-3-4-5-6-7-8-9-10-11-17-36-24-14-12-13-22(18-24)15-16-25(31)29-19-23(30)20-37-39(34,35)38-21(2)26(28)27(32)33/h12-14,18,21,23,26,30H,3-11,15-17,19-20,28H2,1-2H3,(H,29,31)(H,32,33)(H,34,35)/t21-,23+,26-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	31	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