BindingDB logo
myBDB logout

BDBM50096441 CHEMBL3577172

SMILES: CCCCCCCCCCCOc1cccc(CCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@H](N)C(O)=O)c1

InChI Key: InChIKey=GXPNRLWGDNXGRW-VWNXMTODSA-N

Data: 4 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50096441   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Putative P2Y purinoceptor 10


(Homo sapiens (Human))
BDBM50096441
PNG
(CHEMBL3577172)
Show SMILES CCCCCCCCCCCOc1cccc(CCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@H](N)C(O)=O)c1 |r|
Show InChI InChI=1S/C26H44NO10P/c1-2-3-4-5-6-7-8-9-10-16-34-23-13-11-12-21(17-23)14-15-25(29)35-18-22(28)19-36-38(32,33)37-20-24(27)26(30)31/h11-13,17,22,24,28H,2-10,14-16,18-20,27H2,1H3,(H,30,31)(H,32,33)/t22-,24+/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 12n/an/an/an/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))
BDBM50096441
PNG
(CHEMBL3577172)
Show SMILES CCCCCCCCCCCOc1cccc(CCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@H](N)C(O)=O)c1 |r|
Show InChI InChI=1S/C26H44NO10P/c1-2-3-4-5-6-7-8-9-10-16-34-23-13-11-12-21(17-23)14-15-25(29)35-18-22(28)19-36-38(32,33)37-20-24(27)26(30)31/h11-13,17,22,24,28H,2-10,14-16,18-20,27H2,1H3,(H,30,31)(H,32,33)/t22-,24+/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 18n/an/an/an/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))
BDBM50096441
PNG
(CHEMBL3577172)
Show SMILES CCCCCCCCCCCOc1cccc(CCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@H](N)C(O)=O)c1 |r|
Show InChI InChI=1S/C26H44NO10P/c1-2-3-4-5-6-7-8-9-10-16-34-23-13-11-12-21(17-23)14-15-25(29)35-18-22(28)19-36-38(32,33)37-20-24(27)26(30)31/h11-13,17,22,24,28H,2-10,14-16,18-20,27H2,1H3,(H,30,31)(H,32,33)/t22-,24+/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 12n/an/an/an/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))
BDBM50096441
PNG
(CHEMBL3577172)
Show SMILES CCCCCCCCCCCOc1cccc(CCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@H](N)C(O)=O)c1 |r|
Show InChI InChI=1S/C26H44NO10P/c1-2-3-4-5-6-7-8-9-10-16-34-23-13-11-12-21(17-23)14-15-25(29)35-18-22(28)19-36-38(32,33)37-20-24(27)26(30)31/h11-13,17,22,24,28H,2-10,14-16,18-20,27H2,1H3,(H,30,31)(H,32,33)/t22-,24+/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 18n/an/an/an/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