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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Somatostatin receptor type 5' and Ligand = 'BDBM50322981'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50322981
PNG
(CHEMBL1210207 | N-(1-((2,6-diethoxy-4'-fluorobiphe...)
Show SMILES CCOc1cc(CN2CCC(CC2)NC(=O)c2cncc(C)c2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C29H34FN3O3/c1-4-35-26-15-21(16-27(36-5-2)28(26)22-6-8-24(30)9-7-22)19-33-12-10-25(11-13-33)32-29(34)23-14-20(3)17-31-18-23/h6-9,14-18,25H,4-5,10-13,19H2,1-3H3,(H,32,34)
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4.40n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of radio labeled 11 Tyr SST14 from human SST5 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 4521-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.026
BindingDB Entry DOI: 10.7270/Q2J103BN
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Mus musculus)
BDBM50322981
PNG
(CHEMBL1210207 | N-(1-((2,6-diethoxy-4'-fluorobiphe...)
Show SMILES CCOc1cc(CN2CCC(CC2)NC(=O)c2cncc(C)c2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C29H34FN3O3/c1-4-35-26-15-21(16-27(36-5-2)28(26)22-6-8-24(30)9-7-22)19-33-12-10-25(11-13-33)32-29(34)23-14-20(3)17-31-18-23/h6-9,14-18,25H,4-5,10-13,19H2,1-3H3,(H,32,34)
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n/an/a 1n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of (3-125I-Tyr11)-SRIF-28 from mouse SSTR5 expressed in CHO-K1 cell membranes by filtration binding assay


ACS Med Chem Lett 9: 1082-1087 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00305
BindingDB Entry DOI: 10.7270/Q2ZP48TS
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50322981
PNG
(CHEMBL1210207 | N-(1-((2,6-diethoxy-4'-fluorobiphe...)
Show SMILES CCOc1cc(CN2CCC(CC2)NC(=O)c2cncc(C)c2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C29H34FN3O3/c1-4-35-26-15-21(16-27(36-5-2)28(26)22-6-8-24(30)9-7-22)19-33-12-10-25(11-13-33)32-29(34)23-14-20(3)17-31-18-23/h6-9,14-18,25H,4-5,10-13,19H2,1-3H3,(H,32,34)
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n/an/a 1.30n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of (3-125I-Tyr11)-SRIF-28 from human SSTR5 expressed in CHO-K1 cell membranes by filtration binding assay


ACS Med Chem Lett 9: 1082-1087 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00305
BindingDB Entry DOI: 10.7270/Q2ZP48TS
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Mus musculus)
BDBM50322981
PNG
(CHEMBL1210207 | N-(1-((2,6-diethoxy-4'-fluorobiphe...)
Show SMILES CCOc1cc(CN2CCC(CC2)NC(=O)c2cncc(C)c2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C29H34FN3O3/c1-4-35-26-15-21(16-27(36-5-2)28(26)22-6-8-24(30)9-7-22)19-33-12-10-25(11-13-33)32-29(34)23-14-20(3)17-31-18-23/h6-9,14-18,25H,4-5,10-13,19H2,1-3H3,(H,32,34)
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n/an/a 2.70n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at mouse SSTR5 expressed in CHO-K1 cell membranes assessed as reduction in SST-28-induced inhibition of forskolin-stimulated cAMP...


ACS Med Chem Lett 9: 1082-1087 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00305
BindingDB Entry DOI: 10.7270/Q2ZP48TS
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50322981
PNG
(CHEMBL1210207 | N-(1-((2,6-diethoxy-4'-fluorobiphe...)
Show SMILES CCOc1cc(CN2CCC(CC2)NC(=O)c2cncc(C)c2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C29H34FN3O3/c1-4-35-26-15-21(16-27(36-5-2)28(26)22-6-8-24(30)9-7-22)19-33-12-10-25(11-13-33)32-29(34)23-14-20(3)17-31-18-23/h6-9,14-18,25H,4-5,10-13,19H2,1-3H3,(H,32,34)
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n/an/a 3.10n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human SSTR5 expressed in CHO-K1 cell membranes assessed as reduction in SST-28-induced inhibition of forskolin-stimulated cAMP...


ACS Med Chem Lett 9: 1082-1087 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00305
BindingDB Entry DOI: 10.7270/Q2ZP48TS
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50322981
PNG
(CHEMBL1210207 | N-(1-((2,6-diethoxy-4'-fluorobiphe...)
Show SMILES CCOc1cc(CN2CCC(CC2)NC(=O)c2cncc(C)c2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C29H34FN3O3/c1-4-35-26-15-21(16-27(36-5-2)28(26)22-6-8-24(30)9-7-22)19-33-12-10-25(11-13-33)32-29(34)23-14-20(3)17-31-18-23/h6-9,14-18,25H,4-5,10-13,19H2,1-3H3,(H,32,34)
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PubMed
n/an/an/an/a>1.00E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human SST5 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation by FRET assay


Bioorg Med Chem Lett 20: 4521-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.026
BindingDB Entry DOI: 10.7270/Q2J103BN
More data for this
Ligand-Target Pair