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BDBM50238951 CHEMBL4082629

SMILES: CCc1ccc(Oc2cccc(COc3ccccc3CCC(=O)OCCCOP(O)(=O)OC[C@H](N)C(O)=O)c2)cc1

InChI Key: InChIKey=XDJHQZDENHWXGK-MHZLTWQESA-N

Data: 2 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 2 hits for monomerid = 50238951   
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)
BDBM50238951
PNG
(CHEMBL4082629)
Show SMILES CCc1ccc(Oc2cccc(COc3ccccc3CCC(=O)OCCCOP(O)(=O)OC[C@H](N)C(O)=O)c2)cc1 |r|
Show InChI InChI=1S/C30H36NO10P/c1-2-22-11-14-25(15-12-22)41-26-9-5-7-23(19-26)20-38-28-10-4-3-8-24(28)13-16-29(32)37-17-6-18-39-42(35,36)40-21-27(31)30(33)34/h3-5,7-12,14-15,19,27H,2,6,13,16-18,20-21,31H2,1H3,(H,33,34)(H,35,36)/t27-/m0/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 178n/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)
BDBM50238951
PNG
(CHEMBL4082629)
Show SMILES CCc1ccc(Oc2cccc(COc3ccccc3CCC(=O)OCCCOP(O)(=O)OC[C@H](N)C(O)=O)c2)cc1 |r|
Show InChI InChI=1S/C30H36NO10P/c1-2-22-11-14-25(15-12-22)41-26-9-5-7-23(19-26)20-38-28-10-4-3-8-24(28)13-16-29(32)37-17-6-18-39-42(35,36)40-21-27(31)30(33)34/h3-5,7-12,14-15,19,27H,2,6,13,16-18,20-21,31H2,1H3,(H,33,34)(H,35,36)/t27-/m0/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
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 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