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BDBM50238933 CHEMBL4089962

SMILES: CC(C)(C)c1ccc(Oc2cccc(COc3ccccc3CCC(=O)OCCCOP(O)(=O)OC[C@H](N)C(O)=O)c2)cc1

InChI Key: InChIKey=HGYBEZUXJPBXOR-NDEPHWFRSA-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 = 50238933   
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)
BDBM50238933
PNG
(CHEMBL4089962)
Show SMILES CC(C)(C)c1ccc(Oc2cccc(COc3ccccc3CCC(=O)OCCCOP(O)(=O)OC[C@H](N)C(O)=O)c2)cc1 |r|
Show InChI InChI=1S/C32H40NO10P/c1-32(2,3)25-13-15-26(16-14-25)43-27-10-6-8-23(20-27)21-40-29-11-5-4-9-24(29)12-17-30(34)39-18-7-19-41-44(37,38)42-22-28(33)31(35)36/h4-6,8-11,13-16,20,28H,7,12,17-19,21-22,33H2,1-3H3,(H,35,36)(H,37,38)/t28-/m0/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 900n/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Opioid receptor mu 1 affinity against the receptor site model site 1 (mu1) by using the curve-fitting program LIGAND


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))
BDBM50238933
PNG
(CHEMBL4089962)
Show SMILES CC(C)(C)c1ccc(Oc2cccc(COc3ccccc3CCC(=O)OCCCOP(O)(=O)OC[C@H](N)C(O)=O)c2)cc1 |r|
Show InChI InChI=1S/C32H40NO10P/c1-32(2,3)25-13-15-26(16-14-25)43-27-10-6-8-23(20-27)21-40-29-11-5-4-9-24(29)12-17-30(34)39-18-7-19-41-44(37,38)42-22-28(33)31(35)36/h4-6,8-11,13-16,20,28H,7,12,17-19,21-22,33H2,1-3H3,(H,35,36)(H,37,38)/t28-/m0/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 295n/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
Probable G-protein coupled receptor 34


(Homo sapiens (Human))
BDBM50238933
PNG
(CHEMBL4089962)
Show SMILES CC(C)(C)c1ccc(Oc2cccc(COc3ccccc3CCC(=O)OCCCOP(O)(=O)OC[C@H](N)C(O)=O)c2)cc1 |r|
Show InChI InChI=1S/C32H40NO10P/c1-32(2,3)25-13-15-26(16-14-25)43-27-10-6-8-23(20-27)21-40-29-11-5-4-9-24(29)12-17-30(34)39-18-7-19-41-44(37,38)42-22-28(33)31(35)36/h4-6,8-11,13-16,20,28H,7,12,17-19,21-22,33H2,1-3H3,(H,35,36)(H,37,38)/t28-/m0/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 300n/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
G protein-coupled receptor 34


(Mus musculus)
BDBM50238933
PNG
(CHEMBL4089962)
Show SMILES CC(C)(C)c1ccc(Oc2cccc(COc3ccccc3CCC(=O)OCCCOP(O)(=O)OC[C@H](N)C(O)=O)c2)cc1 |r|
Show InChI InChI=1S/C32H40NO10P/c1-32(2,3)25-13-15-26(16-14-25)43-27-10-6-8-23(20-27)21-40-29-11-5-4-9-24(29)12-17-30(34)39-18-7-19-41-44(37,38)42-22-28(33)31(35)36/h4-6,8-11,13-16,20,28H,7,12,17-19,21-22,33H2,1-3H3,(H,35,36)(H,37,38)/t28-/m0/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 912n/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