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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 617.7
BDBM50096443

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

Found 5 hits in this display   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Putative P2Y purinoceptor 10


(Homo sapiens (Human))
BDBM50096443
PNG
(CHEMBL3577176)
Show SMILES CCCCCCCCCCCCCCCOc1ccc(CCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@H](N)C(O)=O)cc1 |r|
Show InChI InChI=1S/C30H52NO10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-38-27-18-15-25(16-19-27)17-20-29(33)39-22-26(32)23-40-42(36,37)41-24-28(31)30(34)35/h15-16,18-19,26,28,32H,2-14,17,20-24,31H2,1H3,(H,34,35)(H,36,37)/t26-,28+/m1/s1
UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 54n/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))
BDBM50096443
PNG
(CHEMBL3577176)
Show SMILES CCCCCCCCCCCCCCCOc1ccc(CCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@H](N)C(O)=O)cc1 |r|
Show InChI InChI=1S/C30H52NO10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-38-27-18-15-25(16-19-27)17-20-29(33)39-22-26(32)23-40-42(36,37)41-24-28(31)30(34)35/h15-16,18-19,26,28,32H,2-14,17,20-24,31H2,1H3,(H,34,35)(H,36,37)/t26-,28+/m1/s1
PDB

UniProtKB/SwissProt

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CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 85n/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
Probable G-protein coupled receptor 174


(Homo sapiens (Human))
BDBM50096443
PNG
(CHEMBL3577176)
Show SMILES CCCCCCCCCCCCCCCOc1ccc(CCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@H](N)C(O)=O)cc1 |r|
Show InChI InChI=1S/C30H52NO10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-38-27-18-15-25(16-19-27)17-20-29(33)39-22-26(32)23-40-42(36,37)41-24-28(31)30(34)35/h15-16,18-19,26,28,32H,2-14,17,20-24,31H2,1H3,(H,34,35)(H,36,37)/t26-,28+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 86n/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))
BDBM50096443
PNG
(CHEMBL3577176)
Show SMILES CCCCCCCCCCCCCCCOc1ccc(CCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@H](N)C(O)=O)cc1 |r|
Show InChI InChI=1S/C30H52NO10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-38-27-18-15-25(16-19-27)17-20-29(33)39-22-26(32)23-40-42(36,37)41-24-28(31)30(34)35/h15-16,18-19,26,28,32H,2-14,17,20-24,31H2,1H3,(H,34,35)(H,36,37)/t26-,28+/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 53n/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 34


(Homo sapiens (Human))
BDBM50096443
PNG
(CHEMBL3577176)
Show SMILES CCCCCCCCCCCCCCCOc1ccc(CCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@H](N)C(O)=O)cc1 |r|
Show InChI InChI=1S/C30H52NO10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-38-27-18-15-25(16-19-27)17-20-29(33)39-22-26(32)23-40-42(36,37)41-24-28(31)30(34)35/h15-16,18-19,26,28,32H,2-14,17,20-24,31H2,1H3,(H,34,35)(H,36,37)/t26-,28+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+3n/an/an/an/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