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BDBM50096355 CHEMBL3577149

SMILES: CCCCCC\C=C/CCCCCCCC(=O)OCCCOP(O)(=O)OC[C@H](N)C(O)=O

InChI Key: InChIKey=CZDMDSMYEOVSIH-AQWUKCDYSA-N

Data: 5 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 5 hits for monomerid = 50096355   
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))
BDBM50096355
PNG
(CHEMBL3577149)
Show SMILES CCCCCC\C=C/CCCCCCCC(=O)OCCCOP(O)(=O)OC[C@H](N)C(O)=O |r|
Show InChI InChI=1S/C22H42NO8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-21(24)29-17-15-18-30-32(27,28)31-19-20(23)22(25)26/h7-8,20H,2-6,9-19,23H2,1H3,(H,25,26)(H,27,28)/b8-7-/t20-/m0/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 3.16E+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
Putative P2Y purinoceptor 10


(Homo sapiens (Human))
BDBM50096355
PNG
(CHEMBL3577149)
Show SMILES CCCCCC\C=C/CCCCCCCC(=O)OCCCOP(O)(=O)OC[C@H](N)C(O)=O |r|
Show InChI InChI=1S/C22H42NO8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-21(24)29-17-15-18-30-32(27,28)31-19-20(23)22(25)26/h7-8,20H,2-6,9-19,23H2,1H3,(H,25,26)(H,27,28)/b8-7-/t20-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 58n/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))
BDBM50096355
PNG
(CHEMBL3577149)
Show SMILES CCCCCC\C=C/CCCCCCCC(=O)OCCCOP(O)(=O)OC[C@H](N)C(O)=O |r|
Show InChI InChI=1S/C22H42NO8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-21(24)29-17-15-18-30-32(27,28)31-19-20(23)22(25)26/h7-8,20H,2-6,9-19,23H2,1H3,(H,25,26)(H,27,28)/b8-7-/t20-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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 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))
BDBM50096355
PNG
(CHEMBL3577149)
Show SMILES CCCCCC\C=C/CCCCCCCC(=O)OCCCOP(O)(=O)OC[C@H](N)C(O)=O |r|
Show InChI InChI=1S/C22H42NO8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-21(24)29-17-15-18-30-32(27,28)31-19-20(23)22(25)26/h7-8,20H,2-6,9-19,23H2,1H3,(H,25,26)(H,27,28)/b8-7-/t20-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 58n/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))
BDBM50096355
PNG
(CHEMBL3577149)
Show SMILES CCCCCC\C=C/CCCCCCCC(=O)OCCCOP(O)(=O)OC[C@H](N)C(O)=O |r|
Show InChI InChI=1S/C22H42NO8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-21(24)29-17-15-18-30-32(27,28)31-19-20(23)22(25)26/h7-8,20H,2-6,9-19,23H2,1H3,(H,25,26)(H,27,28)/b8-7-/t20-/m0/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 3.10E+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