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BDBM50238938 CHEMBL4095241

SMILES: CC(C)(C)c1cccc(c1)-c1ccc(Oc2cccc(COc3ccccc3CCC(=O)OCCCOP(O)(=O)OC[C@H](N)C(O)=O)c2)cc1

InChI Key: InChIKey=IEHHDCJODKNINL-UMSFTDKQSA-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 = 50238938   
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)
BDBM50238938
PNG
(CHEMBL4095241)
Show SMILES CC(C)(C)c1cccc(c1)-c1ccc(Oc2cccc(COc3ccccc3CCC(=O)OCCCOP(O)(=O)OC[C@H](N)C(O)=O)c2)cc1 |r|
Show InChI InChI=1S/C38H44NO10P/c1-38(2,3)31-12-7-11-30(24-31)28-15-18-32(19-16-28)49-33-13-6-9-27(23-33)25-46-35-14-5-4-10-29(35)17-20-36(40)45-21-8-22-47-50(43,44)48-26-34(39)37(41)42/h4-7,9-16,18-19,23-24,34H,8,17,20-22,25-26,39H2,1-3H3,(H,41,42)(H,43,44)/t34-/m0/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 14n/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)
BDBM50238938
PNG
(CHEMBL4095241)
Show SMILES CC(C)(C)c1cccc(c1)-c1ccc(Oc2cccc(COc3ccccc3CCC(=O)OCCCOP(O)(=O)OC[C@H](N)C(O)=O)c2)cc1 |r|
Show InChI InChI=1S/C38H44NO10P/c1-38(2,3)31-12-7-11-30(24-31)28-15-18-32(19-16-28)49-33-13-6-9-27(23-33)25-46-35-14-5-4-10-29(35)17-20-36(40)45-21-8-22-47-50(43,44)48-26-34(39)37(41)42/h4-7,9-16,18-19,23-24,34H,8,17,20-22,25-26,39H2,1-3H3,(H,41,42)(H,43,44)/t34-/m0/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 14n/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))
BDBM50238938
PNG
(CHEMBL4095241)
Show SMILES CC(C)(C)c1cccc(c1)-c1ccc(Oc2cccc(COc3ccccc3CCC(=O)OCCCOP(O)(=O)OC[C@H](N)C(O)=O)c2)cc1 |r|
Show InChI InChI=1S/C38H44NO10P/c1-38(2,3)31-12-7-11-30(24-31)28-15-18-32(19-16-28)49-33-13-6-9-27(23-33)25-46-35-14-5-4-10-29(35)17-20-36(40)45-21-8-22-47-50(43,44)48-26-34(39)37(41)42/h4-7,9-16,18-19,23-24,34H,8,17,20-22,25-26,39H2,1-3H3,(H,41,42)(H,43,44)/t34-/m0/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 15n/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))
BDBM50238938
PNG
(CHEMBL4095241)
Show SMILES CC(C)(C)c1cccc(c1)-c1ccc(Oc2cccc(COc3ccccc3CCC(=O)OCCCOP(O)(=O)OC[C@H](N)C(O)=O)c2)cc1 |r|
Show InChI InChI=1S/C38H44NO10P/c1-38(2,3)31-12-7-11-30(24-31)28-15-18-32(19-16-28)49-33-13-6-9-27(23-33)25-46-35-14-5-4-10-29(35)17-20-36(40)45-21-8-22-47-50(43,44)48-26-34(39)37(41)42/h4-7,9-16,18-19,23-24,34H,8,17,20-22,25-26,39H2,1-3H3,(H,41,42)(H,43,44)/t34-/m0/s1
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 15n/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