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BDBM50096361 CHEMBL3577175

SMILES: CCCCCCCCCCCCCCCOc1cccc(CCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@H](N)C(O)=O)c1

InChI Key: InChIKey=WQJJSZPJURMPSD-IAPPQJPRSA-N

Data: 6 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 6 hits for monomerid = 50096361   
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
Probable G-protein coupled receptor 34


(Homo sapiens (Human))
BDBM50096361
PNG
(CHEMBL3577175)
Show SMILES CCCCCCCCCCCCCCCOc1cccc(CCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@H](N)C(O)=O)c1
Show InChI InChI=1S/C30H52NO10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-38-27-17-15-16-25(21-27)18-19-29(33)39-22-26(32)23-40-42(36,37)41-24-28(31)30(34)35/h15-17,21,26,28,32H,2-14,18-20,22-24,31H2,1H3,(H,34,35)(H,36,37)/t26-,28+/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 158n/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
Putative P2Y purinoceptor 10


(Homo sapiens (Human))
BDBM50096361
PNG
(CHEMBL3577175)
Show SMILES CCCCCCCCCCCCCCCOc1cccc(CCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@H](N)C(O)=O)c1
Show InChI InChI=1S/C30H52NO10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-38-27-17-15-16-25(21-27)18-19-29(33)39-22-26(32)23-40-42(36,37)41-24-28(31)30(34)35/h15-17,21,26,28,32H,2-14,18-20,22-24,31H2,1H3,(H,34,35)(H,36,37)/t26-,28+/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 13n/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))
BDBM50096361
PNG
(CHEMBL3577175)
Show SMILES CCCCCCCCCCCCCCCOc1cccc(CCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@H](N)C(O)=O)c1
Show InChI InChI=1S/C30H52NO10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-38-27-17-15-16-25(21-27)18-19-29(33)39-22-26(32)23-40-42(36,37)41-24-28(31)30(34)35/h15-17,21,26,28,32H,2-14,18-20,22-24,31H2,1H3,(H,34,35)(H,36,37)/t26-,28+/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 25n/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 34


(Homo sapiens (Human))
BDBM50096361
PNG
(CHEMBL3577175)
Show SMILES CCCCCCCCCCCCCCCOc1cccc(CCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@H](N)C(O)=O)c1
Show InChI InChI=1S/C30H52NO10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-38-27-17-15-16-25(21-27)18-19-29(33)39-22-26(32)23-40-42(36,37)41-24-28(31)30(34)35/h15-17,21,26,28,32H,2-14,18-20,22-24,31H2,1H3,(H,34,35)(H,36,37)/t26-,28+/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 160n/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
Putative P2Y purinoceptor 10


(Homo sapiens (Human))
BDBM50096361
PNG
(CHEMBL3577175)
Show SMILES CCCCCCCCCCCCCCCOc1cccc(CCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@H](N)C(O)=O)c1
Show InChI InChI=1S/C30H52NO10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-38-27-17-15-16-25(21-27)18-19-29(33)39-22-26(32)23-40-42(36,37)41-24-28(31)30(34)35/h15-17,21,26,28,32H,2-14,18-20,22-24,31H2,1H3,(H,34,35)(H,36,37)/t26-,28+/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 13n/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))
BDBM50096361
PNG
(CHEMBL3577175)
Show SMILES CCCCCCCCCCCCCCCOc1cccc(CCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@H](N)C(O)=O)c1
Show InChI InChI=1S/C30H52NO10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-38-27-17-15-16-25(21-27)18-19-29(33)39-22-26(32)23-40-42(36,37)41-24-28(31)30(34)35/h15-17,21,26,28,32H,2-14,18-20,22-24,31H2,1H3,(H,34,35)(H,36,37)/t26-,28+/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 25n/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