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BDBM50177124 CHEMBL3814643

SMILES: N[C@@H](COP(O)(=O)OC[C@H]1OCC=C[C@H]1OC(=O)CCc1ccccc1OCc1cccc(Oc2ccccc2)c1)C(O)=O

InChI Key: InChIKey=QUMUJVAMABZIDA-WIIGKZCBSA-N

Data: 3 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 3 hits for monomerid = 50177124   
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


(Mus musculus)
BDBM50177124
PNG
(CHEMBL3814643)
Show SMILES N[C@@H](COP(O)(=O)OC[C@H]1OCC=C[C@H]1OC(=O)CCc1ccccc1OCc1cccc(Oc2ccccc2)c1)C(O)=O |r,c:12|
Show InChI InChI=1S/C31H34NO11P/c32-26(31(34)35)20-40-44(36,37)41-21-29-28(14-7-17-38-29)43-30(33)16-15-23-9-4-5-13-27(23)39-19-22-8-6-12-25(18-22)42-24-10-2-1-3-11-24/h1-14,18,26,28-29H,15-17,19-21,32H2,(H,34,35)(H,36,37)/t26-,28+,29+/m0/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 182n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR34 expressed in HEK293A cells cotransfected with chimeric Galphaq/il after 1.5 hrs by alkaline phosphatase tagged-TGFalp...


J Med Chem 59: 3750-76 (2016)


BindingDB Entry DOI: 10.7270/Q2542QHQ
More data for this
Ligand-Target Pair
G protein-coupled receptor 34


(Mus musculus)
BDBM50177124
PNG
(CHEMBL3814643)
Show SMILES N[C@@H](COP(O)(=O)OC[C@H]1OCC=C[C@H]1OC(=O)CCc1ccccc1OCc1cccc(Oc2ccccc2)c1)C(O)=O |r,c:12|
Show InChI InChI=1S/C31H34NO11P/c32-26(31(34)35)20-40-44(36,37)41-21-29-28(14-7-17-38-29)43-30(33)16-15-23-9-4-5-13-27(23)39-19-22-8-6-12-25(18-22)42-24-10-2-1-3-11-24/h1-14,18,26,28-29H,15-17,19-21,32H2,(H,34,35)(H,36,37)/t26-,28+,29+/m0/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 180n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR34 expressed in HEK293A cells cotransfected with chimeric Galphaq/il after 1.5 hrs by alkaline phosphatase tagged-TGFalp...


J Med Chem 59: 3750-76 (2016)


BindingDB Entry DOI: 10.7270/Q2542QHQ
More data for this
Ligand-Target Pair
Putative P2Y purinoceptor 10


(Mus musculus)
BDBM50177124
PNG
(CHEMBL3814643)
Show SMILES N[C@@H](COP(O)(=O)OC[C@H]1OCC=C[C@H]1OC(=O)CCc1ccccc1OCc1cccc(Oc2ccccc2)c1)C(O)=O |r,c:12|
Show InChI InChI=1S/C31H34NO11P/c32-26(31(34)35)20-40-44(36,37)41-21-29-28(14-7-17-38-29)43-30(33)16-15-23-9-4-5-13-27(23)39-19-22-8-6-12-25(18-22)42-24-10-2-1-3-11-24/h1-14,18,26,28-29H,15-17,19-21,32H2,(H,34,35)(H,36,37)/t26-,28+,29+/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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 mouse P2Y10 receptor expressed in HEK293A cells after 1.5 hrs by alkaline phosphatase tagged-TGFalpha shedding assay


J Med Chem 59: 3750-76 (2016)


BindingDB Entry DOI: 10.7270/Q2542QHQ
More data for this
Ligand-Target Pair