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BDBM50333650 5-(((2R,3R,4R,5S)-1-(2-(1H-indol-3-yl)ethyl)-3,4,5-tris(benzyloxy)piperidin-2-yl)methoxy)pentan-1-amine::CHEMBL1643110

SMILES: NCCCCCOC[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](CN1CCc1c[nH]c2ccccc12)OCc1ccccc1

InChI Key: InChIKey=JIZLTCCSRQRYNK-SZRGUQLDSA-N

Data: 4 KI

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 = 50333650   
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
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50333650
PNG
(5-(((2R,3R,4R,5S)-1-(2-(1H-indol-3-yl)ethyl)-3,4,5...)
Show SMILES NCCCCCOC[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](CN1CCc1c[nH]c2ccccc12)OCc1ccccc1 |r|
Show InChI InChI=1S/C42H51N3O4/c43-24-13-4-14-26-46-32-39-41(48-30-34-17-7-2-8-18-34)42(49-31-35-19-9-3-10-20-35)40(47-29-33-15-5-1-6-16-33)28-45(39)25-23-36-27-44-38-22-12-11-21-37(36)38/h1-3,5-12,15-22,27,39-42,44H,4,13-14,23-26,28-32,43H2/t39-,40+,41-,42-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.40E+3n/an/an/an/an/an/an/an/a



Shandong University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human SSTR4


Bioorg Med Chem Lett 21: 824-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.088
BindingDB Entry DOI: 10.7270/Q23N23NM
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50333650
PNG
(5-(((2R,3R,4R,5S)-1-(2-(1H-indol-3-yl)ethyl)-3,4,5...)
Show SMILES NCCCCCOC[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](CN1CCc1c[nH]c2ccccc12)OCc1ccccc1 |r|
Show InChI InChI=1S/C42H51N3O4/c43-24-13-4-14-26-46-32-39-41(48-30-34-17-7-2-8-18-34)42(49-31-35-19-9-3-10-20-35)40(47-29-33-15-5-1-6-16-33)28-45(39)25-23-36-27-44-38-22-12-11-21-37(36)38/h1-3,5-12,15-22,27,39-42,44H,4,13-14,23-26,28-32,43H2/t39-,40+,41-,42-/m1/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.40E+3n/an/an/an/an/an/an/an/a



National University of Ireland Galway

Curated by ChEMBL


Assay Description
Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR4 expressed in African green monkey COS1 cell membranes after 2 hrs by scintillation cou...


Eur J Med Chem 163: 148-159 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.030
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50333650
PNG
(5-(((2R,3R,4R,5S)-1-(2-(1H-indol-3-yl)ethyl)-3,4,5...)
Show SMILES NCCCCCOC[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](CN1CCc1c[nH]c2ccccc12)OCc1ccccc1 |r|
Show InChI InChI=1S/C42H51N3O4/c43-24-13-4-14-26-46-32-39-41(48-30-34-17-7-2-8-18-34)42(49-31-35-19-9-3-10-20-35)40(47-29-33-15-5-1-6-16-33)28-45(39)25-23-36-27-44-38-22-12-11-21-37(36)38/h1-3,5-12,15-22,27,39-42,44H,4,13-14,23-26,28-32,43H2/t39-,40+,41-,42-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.00E+3n/an/an/an/an/an/an/an/a



National University of Ireland Galway

Curated by ChEMBL


Assay Description
Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR5 expressed in African green monkey COS1 cell membranes after 2 hrs by scintillation cou...


Eur J Med Chem 163: 148-159 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.030
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50333650
PNG
(5-(((2R,3R,4R,5S)-1-(2-(1H-indol-3-yl)ethyl)-3,4,5...)
Show SMILES NCCCCCOC[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](CN1CCc1c[nH]c2ccccc12)OCc1ccccc1 |r|
Show InChI InChI=1S/C42H51N3O4/c43-24-13-4-14-26-46-32-39-41(48-30-34-17-7-2-8-18-34)42(49-31-35-19-9-3-10-20-35)40(47-29-33-15-5-1-6-16-33)28-45(39)25-23-36-27-44-38-22-12-11-21-37(36)38/h1-3,5-12,15-22,27,39-42,44H,4,13-14,23-26,28-32,43H2/t39-,40+,41-,42-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.00E+3n/an/an/an/an/an/an/an/a



Shandong University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human SSTR5


Bioorg Med Chem Lett 21: 824-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.088
BindingDB Entry DOI: 10.7270/Q23N23NM
More data for this
Ligand-Target Pair