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BDBM50238947 CHEMBL4072692

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

InChI Key: InChIKey=NJRWPPALOPUYTN-VWLOTQADSA-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 = 50238947   
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
G protein-coupled receptor 34


(Mus musculus)
BDBM50238947
PNG
(CHEMBL4072692)
Show SMILES N[C@@H](COP(O)(=O)OCCCOC(=O)CCc1ccccc1OCc1cccc(Oc2ccccc2)c1)C(O)=O |r|
Show InChI InChI=1S/C28H32NO10P/c29-25(28(31)32)20-38-40(33,34)37-17-7-16-35-27(30)15-14-22-9-4-5-13-26(22)36-19-21-8-6-12-24(18-21)39-23-10-2-1-3-11-23/h1-6,8-13,18,25H,7,14-17,19-20,29H2,(H,31,32)(H,33,34)/t25-/m0/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 220n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR34 expressed in HEK293 cells co-transfected with AP-TGFalpha/chimeric Galphaq/i1 assessed as induction of ectodomain she...


J Med Chem 60: 6384-6399 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00693
BindingDB Entry DOI: 10.7270/Q2FX7CR1
More data for this
Ligand-Target Pair
G protein-coupled receptor 34


(Mus musculus)
BDBM50238947
PNG
(CHEMBL4072692)
Show SMILES N[C@@H](COP(O)(=O)OCCCOC(=O)CCc1ccccc1OCc1cccc(Oc2ccccc2)c1)C(O)=O |r|
Show InChI InChI=1S/C28H32NO10P/c29-25(28(31)32)20-38-40(33,34)37-17-7-16-35-27(30)15-14-22-9-4-5-13-26(22)36-19-21-8-6-12-24(18-21)39-23-10-2-1-3-11-23/h1-6,8-13,18,25H,7,14-17,19-20,29H2,(H,31,32)(H,33,34)/t25-/m0/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 219n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at mouse GPR34 expressed in HEK293 cells co-transfected with AP-TGFalpha/chimeric Galphaq/i1 assessed as induction of ectodomain she...


J Med Chem 60: 6384-6399 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00693
BindingDB Entry DOI: 10.7270/Q2FX7CR1
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 34


(Homo sapiens (Human))
BDBM50238947
PNG
(CHEMBL4072692)
Show SMILES N[C@@H](COP(O)(=O)OCCCOC(=O)CCc1ccccc1OCc1cccc(Oc2ccccc2)c1)C(O)=O |r|
Show InChI InChI=1S/C28H32NO10P/c29-25(28(31)32)20-38-40(33,34)37-17-7-16-35-27(30)15-14-22-9-4-5-13-26(22)36-19-21-8-6-12-24(18-21)39-23-10-2-1-3-11-23/h1-6,8-13,18,25H,7,14-17,19-20,29H2,(H,31,32)(H,33,34)/t25-/m0/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 95n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human plasma renin


J Med Chem 60: 6384-6399 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00693
BindingDB Entry DOI: 10.7270/Q2FX7CR1
More data for this
Ligand-Target Pair
Probable G-protein coupled receptor 34


(Homo sapiens (Human))
BDBM50238947
PNG
(CHEMBL4072692)
Show SMILES N[C@@H](COP(O)(=O)OCCCOC(=O)CCc1ccccc1OCc1cccc(Oc2ccccc2)c1)C(O)=O |r|
Show InChI InChI=1S/C28H32NO10P/c29-25(28(31)32)20-38-40(33,34)37-17-7-16-35-27(30)15-14-22-9-4-5-13-26(22)36-19-21-8-6-12-24(18-21)39-23-10-2-1-3-11-23/h1-6,8-13,18,25H,7,14-17,19-20,29H2,(H,31,32)(H,33,34)/t25-/m0/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 90n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at human GPR34 expressed in HEK293 cells co-transfected with AP-TGFalpha/chimeric Galphaq/i1 assessed as induction of AP-TGFalpha re...


J Med Chem 60: 6384-6399 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00693
BindingDB Entry DOI: 10.7270/Q2FX7CR1
More data for this
Ligand-Target Pair