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Compile Data Set for Download or QSAR

Found 1513 hits with Last Name = 'martin' and Initial = 're'   
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))
BDBM50322986
PNG
(CHEMBL1210141 | N-(1-((2,6-diethoxy-4'-(trifluorom...)
Show SMILES CCOc1cc(CN2CCC(CC2)NC(=O)c2cncc(C)c2)cc(OCC)c1-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C30H34F3N3O4/c1-4-38-26-15-21(16-27(39-5-2)28(26)22-6-8-25(9-7-22)40-30(31,32)33)19-36-12-10-24(11-13-36)35-29(37)23-14-20(3)17-34-18-23/h6-9,14-18,24H,4-5,10-13,19H2,1-3H3,(H,35,37)
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2.40n/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


(Homo sapiens (Human))
BDBM50322979
PNG
(CHEMBL1210209 | N-(1-((2,6-diethoxy-4'-fluorobiphe...)
Show SMILES CCOc1cc(CN2CCC(CC2)NC(=O)c2ccc(NC)nc2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C29H35FN4O3/c1-4-36-25-16-20(17-26(37-5-2)28(25)21-6-9-23(30)10-7-21)19-34-14-12-24(13-15-34)33-29(35)22-8-11-27(31-3)32-18-22/h6-11,16-18,24H,4-5,12-15,19H2,1-3H3,(H,31,32)(H,33,35)
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2.5n/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


(Homo sapiens (Human))
BDBM50311334
PNG
(2-(1-(4-chloro-3,5-diethoxybenzyl)piperidin-4-ylam...)
Show SMILES CCOc1cc(CN2CCC(CC2)Nc2nc3cc(ccc3o2)C(O)=O)cc(OCC)c1Cl
Show InChI InChI=1S/C24H28ClN3O5/c1-3-31-20-11-15(12-21(22(20)25)32-4-2)14-28-9-7-17(8-10-28)26-24-27-18-13-16(23(29)30)5-6-19(18)33-24/h5-6,11-13,17H,3-4,7-10,14H2,1-2H3,(H,26,27)(H,29,30)
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3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of SST14 from human recombinant SST5 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6106-13 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.024
BindingDB Entry DOI: 10.7270/Q2PC32H9
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50322988
PNG
(CHEMBL1210084 | N-(1-(3,5-diethoxy-4-methylbenzyl)...)
Show SMILES CCOc1cc(CN2CCC(CC2)NC(=O)c2cncc(C)c2)cc(OCC)c1C
Show InChI InChI=1S/C24H33N3O3/c1-5-29-22-12-19(13-23(18(22)4)30-6-2)16-27-9-7-21(8-10-27)26-24(28)20-11-17(3)14-25-15-20/h11-15,21H,5-10,16H2,1-4H3,(H,26,28)
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4n/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


(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


(Homo sapiens (Human))
BDBM50322987
PNG
(CHEMBL1210085 | N-(1-(4-chloro-3,5-diethoxybenzyl)...)
Show SMILES CCOc1cc(CN2CCC(CC2)NC(=O)c2cncc(C)c2)cc(OCC)c1Cl
Show InChI InChI=1S/C23H30ClN3O3/c1-4-29-20-11-17(12-21(22(20)24)30-5-2)15-27-8-6-19(7-9-27)26-23(28)18-10-16(3)13-25-14-18/h10-14,19H,4-9,15H2,1-3H3,(H,26,28)
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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


(Homo sapiens (Human))
BDBM50322992
PNG
(CHEMBL1210030 | N-(1-((2-ethoxy-4'-fluorobiphenyl-...)
Show SMILES CCOc1cc(CN2CCC(CC2)NC(=O)c2cncc(C)c2)ccc1-c1ccc(F)cc1
Show InChI InChI=1S/C27H30FN3O2/c1-3-33-26-15-20(4-9-25(26)21-5-7-23(28)8-6-21)18-31-12-10-24(11-13-31)30-27(32)22-14-19(2)16-29-17-22/h4-9,14-17,24H,3,10-13,18H2,1-2H3,(H,30,32)
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4.90n/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


(Homo sapiens (Human))
BDBM50322980
PNG
(CHEMBL1210208 | N-(1-((2,6-diethoxybiphenyl-4-yl)m...)
Show SMILES CCOc1cc(CN2CCC(CC2)NC(=O)c2cncc(C)c2)cc(OCC)c1-c1ccccc1
Show InChI InChI=1S/C29H35N3O3/c1-4-34-26-16-22(17-27(35-5-2)28(26)23-9-7-6-8-10-23)20-32-13-11-25(12-14-32)31-29(33)24-15-21(3)18-30-19-24/h6-10,15-19,25H,4-5,11-14,20H2,1-3H3,(H,31,33)
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5.40n/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


(Homo sapiens (Human))
BDBM50322984
PNG
(CHEMBL1210143 | N-(1-(3,5-diethoxy-4-fluorobenzyl)...)
Show SMILES CCOc1cc(CN2CCC(CC2)NC(=O)c2ccc(NC(C)C)nc2)cc(OCC)c1F
Show InChI InChI=1S/C25H35FN4O3/c1-5-32-21-13-18(14-22(24(21)26)33-6-2)16-30-11-9-20(10-12-30)29-25(31)19-7-8-23(27-15-19)28-17(3)4/h7-8,13-15,17,20H,5-6,9-12,16H2,1-4H3,(H,27,28)(H,29,31)
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6.30n/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


(Homo sapiens (Human))
BDBM50322978
PNG
(6-amino-N-(1-((2-(benzyloxy)-6-ethoxy-4'-fluorobip...)
Show SMILES CCOc1cc(CN2CCC(CC2)NC(=O)c2ccc(N)nc2)cc(OCc2ccccc2)c1-c1ccc(F)cc1
Show InChI InChI=1S/C33H35FN4O3/c1-2-40-29-18-24(21-38-16-14-28(15-17-38)37-33(39)26-10-13-31(35)36-20-26)19-30(41-22-23-6-4-3-5-7-23)32(29)25-8-11-27(34)12-9-25/h3-13,18-20,28H,2,14-17,21-22H2,1H3,(H2,35,36)(H,37,39)
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6.70n/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


(Homo sapiens (Human))
BDBM50322983
PNG
(CHEMBL1210144 | N-(1-((2,6-diethoxybiphenyl-4-yl)m...)
Show SMILES CCOc1cc(CN2CCC(CC2)NC(=O)c2ccc(NC)nc2)cc(OCC)c1-c1ccccc1
Show InChI InChI=1S/C29H36N4O3/c1-4-35-25-17-21(18-26(36-5-2)28(25)22-9-7-6-8-10-22)20-33-15-13-24(14-16-33)32-29(34)23-11-12-27(30-3)31-19-23/h6-12,17-19,24H,4-5,13-16,20H2,1-3H3,(H,30,31)(H,32,34)
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6.90n/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


(Homo sapiens (Human))
BDBM50322985
PNG
(6-amino-N-(1-((2,6-diethoxy-4'-fluorobiphenyl-4-yl...)
Show SMILES CCOc1cc(CN2CCC(CC2)NC(=O)c2ccc(N)nc2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C28H33FN4O3/c1-3-35-24-15-19(16-25(36-4-2)27(24)20-5-8-22(29)9-6-20)18-33-13-11-23(12-14-33)32-28(34)21-7-10-26(30)31-17-21/h5-10,15-17,23H,3-4,11-14,18H2,1-2H3,(H2,30,31)(H,32,34)
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7.10n/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


(Homo sapiens (Human))
BDBM50322982
PNG
(6-chloro-N-(1-((2,6-diethoxy-4'-fluorobiphenyl-4-y...)
Show SMILES CCOc1cc(CN2CCC(CC2)NC(=O)c2ccc(Cl)nc2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C28H31ClFN3O3/c1-3-35-24-15-19(16-25(36-4-2)27(24)20-5-8-22(30)9-6-20)18-33-13-11-23(12-14-33)32-28(34)21-7-10-26(29)31-17-21/h5-10,15-17,23H,3-4,11-14,18H2,1-2H3,(H,32,34)
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7.90n/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


(Homo sapiens (Human))
BDBM50311333
PNG
(2-(1-(3,5-diethoxy-4-fluorobenzyl)piperidin-4-ylam...)
Show SMILES CCOc1cc(CN2CCC(CC2)Nc2nc3cc(ccc3o2)C(N)=O)cc(OCC)c1F
Show InChI InChI=1S/C24H29FN4O4/c1-3-31-20-11-15(12-21(22(20)25)32-4-2)14-29-9-7-17(8-10-29)27-24-28-18-13-16(23(26)30)5-6-19(18)33-24/h5-6,11-13,17H,3-4,7-10,14H2,1-2H3,(H2,26,30)(H,27,28)
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8n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of SST14 from human recombinant SST5 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6106-13 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.024
BindingDB Entry DOI: 10.7270/Q2PC32H9
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50322971
PNG
(CHEMBL1210375 | rac-N-(1-((2,6-diethoxy-4'-fluorob...)
Show SMILES CCOc1cc(CN2CCCC(CC2)NC(=O)c2cncc(C)c2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C30H36FN3O3/c1-4-36-27-16-22(17-28(37-5-2)29(27)23-8-10-25(31)11-9-23)20-34-13-6-7-26(12-14-34)33-30(35)24-15-21(3)18-32-19-24/h8-11,15-19,26H,4-7,12-14,20H2,1-3H3,(H,33,35)
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9.30n/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


(Homo sapiens (Human))
BDBM50322989
PNG
(CHEMBL1210083 | N-(1-(3,5-diethoxy-4-(1H-imidazol-...)
Show SMILES CCOc1cc(CN2CCC(CC2)NC(=O)c2cncc(C)c2)cc(OCC)c1-n1ccnc1
Show InChI InChI=1S/C26H33N5O3/c1-4-33-23-13-20(14-24(34-5-2)25(23)31-11-8-27-18-31)17-30-9-6-22(7-10-30)29-26(32)21-12-19(3)15-28-16-21/h8,11-16,18,22H,4-7,9-10,17H2,1-3H3,(H,29,32)
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11n/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


(Homo sapiens (Human))
BDBM50322991
PNG
(CHEMBL1210031 | N-(1-((2-ethoxy-4'-(trifluoromethy...)
Show SMILES CCOc1cc(CN2CCC(CC2)NC(=O)c2cncc(C)c2)ccc1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C28H30F3N3O2/c1-3-36-26-15-20(4-9-25(26)21-5-7-23(8-6-21)28(29,30)31)18-34-12-10-24(11-13-34)33-27(35)22-14-19(2)16-32-17-22/h4-9,14-17,24H,3,10-13,18H2,1-2H3,(H,33,35)
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11n/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
Cathepsin (L and K)


(Homo sapiens (Human))
BDBM50237034
PNG
(CHEMBL4061626)
Show SMILES Fc1cnc(nc1N(CC1CCCC1)Cc1ccc2OCOc2c1)C#N
PDB
MMDB

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12n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development (pRED)

Curated by ChEMBL




J Med Chem 60: 2485-2497 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01881
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50227099
PNG
(2-(1-(4-amino-3,5-diethoxybenzyl)piperidin-4-ylami...)
Show SMILES CCOc1cc(CN2CCC(CC2)Nc2nc3cc(ccc3o2)S(N)(=O)=O)cc(OCC)c1N
Show InChI InChI=1S/C23H31N5O5S/c1-3-31-20-11-15(12-21(22(20)24)32-4-2)14-28-9-7-16(8-10-28)26-23-27-18-13-17(34(25,29)30)5-6-19(18)33-23/h5-6,11-13,16H,3-4,7-10,14,24H2,1-2H3,(H,26,27)(H2,25,29,30)
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13n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]11-Tyr somatostatin-14 from human SST5R expressed in CHO cells


J Med Chem 50: 6291-4 (2007)


Article DOI: 10.1021/jm701143p
BindingDB Entry DOI: 10.7270/Q2WS8T0K
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50227099
PNG
(2-(1-(4-amino-3,5-diethoxybenzyl)piperidin-4-ylami...)
Show SMILES CCOc1cc(CN2CCC(CC2)Nc2nc3cc(ccc3o2)S(N)(=O)=O)cc(OCC)c1N
Show InChI InChI=1S/C23H31N5O5S/c1-3-31-20-11-15(12-21(22(20)24)32-4-2)14-28-9-7-16(8-10-28)26-23-27-18-13-17(34(25,29)30)5-6-19(18)33-23/h5-6,11-13,16H,3-4,7-10,14,24H2,1-2H3,(H,26,27)(H2,25,29,30)
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13n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of SST14 from human recombinant SST5 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6106-13 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.024
BindingDB Entry DOI: 10.7270/Q2PC32H9
More data for this
Ligand-Target Pair
Cathepsin (L and K)


(Homo sapiens (Human))
BDBM50237035
PNG
(CHEMBL4099881)
Show SMILES Clc1ccc(CN(C2CCCCC2)c2nc(nc(n2)N2CCOCC2)C#N)cc1
PDB
MMDB

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13n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development (pRED)

Curated by ChEMBL




J Med Chem 60: 2485-2497 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01881
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50227129
PNG
(CHEMBL241329 | N-(1-(4-chloro-3-ethoxybenzyl)piper...)
Show SMILES CCOc1cc(CN2CCC(CC2)NC(=O)c2cncc(C)c2)ccc1Cl
Show InChI InChI=1S/C21H26ClN3O2/c1-3-27-20-11-16(4-5-19(20)22)14-25-8-6-18(7-9-25)24-21(26)17-10-15(2)12-23-13-17/h4-5,10-13,18H,3,6-9,14H2,1-2H3,(H,24,26)
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15n/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
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM143695
PNG
(US9682959, 3 | US9751856, 3)
Show SMILES CN1C(=O)C(C)(C)N=C1c1ccc(cn1)C#Cc1cccc(Cl)c1 |c:7|
Show InChI InChI=1S/C19H16ClN3O/c1-19(2)18(24)23(3)17(22-19)16-10-9-14(12-21-16)8-7-13-5-4-6-15(20)11-13/h4-6,9-12H,1-3H3
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16n/an/an/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
cDNA encoding rat mGlu 5a receptor was transiently transfected into EBNA cells using a procedure described by E.-J. Schlaeger and K. Christensen (Cyt...


US Patent US9682959 (2017)


BindingDB Entry DOI: 10.7270/Q2TQ5ZPR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM143695
PNG
(US9682959, 3 | US9751856, 3)
Show SMILES CN1C(=O)C(C)(C)N=C1c1ccc(cn1)C#Cc1cccc(Cl)c1 |c:7|
Show InChI InChI=1S/C19H16ClN3O/c1-19(2)18(24)23(3)17(22-19)16-10-9-14(12-21-16)8-7-13-5-4-6-15(20)11-13/h4-6,9-12H,1-3H3
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16n/an/an/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent




US Patent US9751856 (2017)

More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50227100
PNG
(2-(1-(4-chloro-3-ethoxybenzyl)piperidin-4-ylamino)...)
Show SMILES CCOc1cc(CN2CCC(CC2)Nc2nc3cc(ccc3o2)S(N)(=O)=O)ccc1Cl
Show InChI InChI=1S/C21H25ClN4O4S/c1-2-29-20-11-14(3-5-17(20)22)13-26-9-7-15(8-10-26)24-21-25-18-12-16(31(23,27)28)4-6-19(18)30-21/h3-6,11-12,15H,2,7-10,13H2,1H3,(H,24,25)(H2,23,27,28)
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17n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]11-Tyr somatostatin-14 from human SST5R expressed in CHO cells


J Med Chem 50: 6291-4 (2007)


Article DOI: 10.1021/jm701143p
BindingDB Entry DOI: 10.7270/Q2WS8T0K
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM143693
PNG
(US9682959, 1 | US9751856, 1)
Show SMILES CN1C(=O)C(C)(C)N=C1c1ccc(cn1)C#Cc1cccc(F)c1 |c:7|
Show InChI InChI=1S/C19H16FN3O/c1-19(2)18(24)23(3)17(22-19)16-10-9-14(12-21-16)8-7-13-5-4-6-15(20)11-13/h4-6,9-12H,1-3H3
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18n/an/an/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
cDNA encoding rat mGlu 5a receptor was transiently transfected into EBNA cells using a procedure described by E.-J. Schlaeger and K. Christensen (Cyt...


US Patent US9682959 (2017)


BindingDB Entry DOI: 10.7270/Q2TQ5ZPR
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50322977
PNG
(CHEMBL1210268 | N-(1-(3,5-diethoxy-4-fluorobenzyl)...)
Show SMILES CCOc1cc(CN2CCC(CC2)NC(=O)c2ccc(NC)nc2)cc(OCC)c1F
Show InChI InChI=1S/C23H31FN4O3/c1-4-30-19-12-16(13-20(22(19)24)31-5-2)15-28-10-8-18(9-11-28)27-23(29)17-6-7-21(25-3)26-14-17/h6-7,12-14,18H,4-5,8-11,15H2,1-3H3,(H,25,26)(H,27,29)
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18n/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
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM143693
PNG
(US9682959, 1 | US9751856, 1)
Show SMILES CN1C(=O)C(C)(C)N=C1c1ccc(cn1)C#Cc1cccc(F)c1 |c:7|
Show InChI InChI=1S/C19H16FN3O/c1-19(2)18(24)23(3)17(22-19)16-10-9-14(12-21-16)8-7-13-5-4-6-15(20)11-13/h4-6,9-12H,1-3H3
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18n/an/an/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent




US Patent US9751856 (2017)

More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50322976
PNG
((R)-N-(1-(4-chloro-3-ethoxybenzyl)azepan-4-yl)-5-m...)
Show SMILES CCOc1cc(CN2CCC[C@H](CC2)NC(=O)c2cncc(C)c2)ccc1Cl |r|
Show InChI InChI=1S/C22H28ClN3O2/c1-3-28-21-12-17(6-7-20(21)23)15-26-9-4-5-19(8-10-26)25-22(27)18-11-16(2)13-24-14-18/h6-7,11-14,19H,3-5,8-10,15H2,1-2H3,(H,25,27)/t19-/m1/s1
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18n/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


(Homo sapiens (Human))
BDBM50311336
PNG
(2-(1-(3,5-diethoxy-4-fluorobenzyl)piperidin-4-ylam...)
Show SMILES CCOc1cc(CN2CCC(CC2)Nc2nc3ccc(cc3o2)C(O)=O)cc(OCC)c1F
Show InChI InChI=1S/C24H28FN3O5/c1-3-31-20-11-15(12-21(22(20)25)32-4-2)14-28-9-7-17(8-10-28)26-24-27-18-6-5-16(23(29)30)13-19(18)33-24/h5-6,11-13,17H,3-4,7-10,14H2,1-2H3,(H,26,27)(H,29,30)
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18n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of SST14 from human recombinant SST5 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6106-13 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.024
BindingDB Entry DOI: 10.7270/Q2PC32H9
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50322993
PNG
(6-amino-N-(1-(3-ethoxy-4-methylbenzyl)piperidin-4-...)
Show SMILES CCOc1cc(CN2CCC(CC2)NC(=O)c2ccc(N)nc2)ccc1C
Show InChI InChI=1S/C21H28N4O2/c1-3-27-19-12-16(5-4-15(19)2)14-25-10-8-18(9-11-25)24-21(26)17-6-7-20(22)23-13-17/h4-7,12-13,18H,3,8-11,14H2,1-2H3,(H2,22,23)(H,24,26)
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19n/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


(Homo sapiens (Human))
BDBM50227132
PNG
(4-tert-butyl-N-(1-((1,4-dimethoxynaphthalen-2-yl)m...)
Show SMILES COc1cc(CN2CCC(CC2)NC(=O)c2ccc(cc2)C(C)(C)C)c(OC)c2ccccc12
Show InChI InChI=1S/C29H36N2O3/c1-29(2,3)22-12-10-20(11-13-22)28(32)30-23-14-16-31(17-15-23)19-21-18-26(33-4)24-8-6-7-9-25(24)27(21)34-5/h6-13,18,23H,14-17,19H2,1-5H3,(H,30,32)
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20n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to human SST5R


J Med Chem 50: 6295-8 (2007)


Article DOI: 10.1021/jm701144e
BindingDB Entry DOI: 10.7270/Q2S18273
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50227129
PNG
(CHEMBL241329 | N-(1-(4-chloro-3-ethoxybenzyl)piper...)
Show SMILES CCOc1cc(CN2CCC(CC2)NC(=O)c2cncc(C)c2)ccc1Cl
Show InChI InChI=1S/C21H26ClN3O2/c1-3-27-20-11-16(4-5-19(20)22)14-25-8-6-18(7-9-25)24-21(26)17-10-15(2)12-23-13-17/h4-5,10-13,18H,3,6-9,14H2,1-2H3,(H,24,26)
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20n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to human SST5R


J Med Chem 50: 6295-8 (2007)


Article DOI: 10.1021/jm701144e
BindingDB Entry DOI: 10.7270/Q2S18273
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50322994
PNG
(CHEMBL1210028 | N-(1-(3-ethoxy-4-methylbenzyl)pipe...)
Show SMILES CCOc1cc(CN2CCC(CC2)NC(=O)c2cncc(C)c2)ccc1C
Show InChI InChI=1S/C22H29N3O2/c1-4-27-21-12-18(6-5-17(21)3)15-25-9-7-20(8-10-25)24-22(26)19-11-16(2)13-23-14-19/h5-6,11-14,20H,4,7-10,15H2,1-3H3,(H,24,26)
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21n/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


(Homo sapiens (Human))
BDBM50322972
PNG
((R)-N-(1-(3-ethoxy-4-methylbenzyl)azepan-4-yl)-5-m...)
Show SMILES CCOc1cc(CN2CCC[C@H](CC2)NC(=O)c2cncc(C)c2)ccc1C |r|
Show InChI InChI=1S/C23H31N3O2/c1-4-28-22-13-19(8-7-18(22)3)16-26-10-5-6-21(9-11-26)25-23(27)20-12-17(2)14-24-15-20/h7-8,12-15,21H,4-6,9-11,16H2,1-3H3,(H,25,27)/t21-/m1/s1
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22n/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


(Homo sapiens (Human))
BDBM50322974
PNG
((R)-N-(1-(3,5-diethoxy-4-fluorobenzyl)azepan-4-yl)...)
Show SMILES CCOc1cc(CN2CCC[C@H](CC2)NC(=O)c2cncc(C)c2)cc(OCC)c1F |r|
Show InChI InChI=1S/C24H32FN3O3/c1-4-30-21-12-18(13-22(23(21)25)31-5-2)16-28-9-6-7-20(8-10-28)27-24(29)19-11-17(3)14-26-15-19/h11-15,20H,4-10,16H2,1-3H3,(H,27,29)/t20-/m1/s1
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22n/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


(Homo sapiens (Human))
BDBM50311335
PNG
(2-(1-(4-chloro-3-ethoxybenzyl)piperidin-4-ylamino)...)
Show SMILES CCOc1cc(CN2CCC(CC2)Nc2nc3ccc(cc3o2)C(O)=O)ccc1Cl
Show InChI InChI=1S/C22H24ClN3O4/c1-2-29-19-11-14(3-5-17(19)23)13-26-9-7-16(8-10-26)24-22-25-18-6-4-15(21(27)28)12-20(18)30-22/h3-6,11-12,16H,2,7-10,13H2,1H3,(H,24,25)(H,27,28)
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23n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of SST14 from human recombinant SST5 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6106-13 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.024
BindingDB Entry DOI: 10.7270/Q2PC32H9
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50227119
PNG
(CHEMBL236588 | N-(1-(3-isobutoxy-4-methoxybenzyl)p...)
Show SMILES COc1ccc(CN2CCC(CC2)Nc2nc3ccccc3o2)cc1OCC(C)C
Show InChI InChI=1S/C24H31N3O3/c1-17(2)16-29-23-14-18(8-9-22(23)28-3)15-27-12-10-19(11-13-27)25-24-26-20-6-4-5-7-21(20)30-24/h4-9,14,17,19H,10-13,15-16H2,1-3H3,(H,25,26)
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23n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]11-Tyr somatostatin-14 from human SST5R expressed in CHO cells


J Med Chem 50: 6291-4 (2007)


Article DOI: 10.1021/jm701143p
BindingDB Entry DOI: 10.7270/Q2WS8T0K
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50227119
PNG
(CHEMBL236588 | N-(1-(3-isobutoxy-4-methoxybenzyl)p...)
Show SMILES COc1ccc(CN2CCC(CC2)Nc2nc3ccccc3o2)cc1OCC(C)C
Show InChI InChI=1S/C24H31N3O3/c1-17(2)16-29-23-14-18(8-9-22(23)28-3)15-27-12-10-19(11-13-27)25-24-26-20-6-4-5-7-21(20)30-24/h4-9,14,17,19H,10-13,15-16H2,1-3H3,(H,25,26)
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23n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of SST14 from human recombinant SST5 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6106-13 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.024
BindingDB Entry DOI: 10.7270/Q2PC32H9
More data for this
Ligand-Target Pair
Cathepsin (L and K)


(Homo sapiens (Human))
BDBM50237046
PNG
(CHEMBL4103288)
Show SMILES Fc1cnc(nc1N(CCC(F)(F)F)Cc1ccc2OCOc2c1)C#N
PDB
MMDB

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25n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development (pRED)

Curated by ChEMBL




J Med Chem 60: 2485-2497 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01881
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50322973
PNG
(CHEMBL1210373 | N-(1-(3,5-diethoxy-4-fluorobenzyl)...)
Show SMILES CCOc1cc(CN2CCC(CC2)NC(=O)c2cncc(C)c2)cc(OCC)c1F
Show InChI InChI=1S/C23H30FN3O3/c1-4-29-20-11-17(12-21(22(20)24)30-5-2)15-27-8-6-19(7-9-27)26-23(28)18-10-16(3)13-25-14-18/h10-14,19H,4-9,15H2,1-3H3,(H,26,28)
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25n/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
Cathepsin (L and K)


(Homo sapiens (Human))
BDBM50237014
PNG
(CHEMBL4099341)
Show SMILES Fc1cnc(nc1N(CCCc1ccc(Cl)cc1)Cc1ccc2OCOc2c1)C#N
PDB
MMDB

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27n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development (pRED)

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease (isolated domain)


J Med Chem 60: 2485-2497 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01881
More data for this
Ligand-Target Pair
Cathepsin (L and K)


(Homo sapiens (Human))
BDBM50237013
PNG
(CHEMBL4061015)
Show SMILES COc1cccc(CCCN(Cc2ccc3OCOc3c2)c2nc(ncc2F)C#N)c1
PDB
MMDB

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30n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development (pRED)

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus (HCV) NS3 protease (isolated domain)


J Med Chem 60: 2485-2497 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01881
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50311324
PNG
(CHEMBL1078895 | N-(1-(3,5-diisopropoxybenzyl)piper...)
Show SMILES CC(C)Oc1cc(CN2CCC(CC2)Nc2nc3ccccc3o2)cc(OC(C)C)c1
Show InChI InChI=1S/C25H33N3O3/c1-17(2)29-21-13-19(14-22(15-21)30-18(3)4)16-28-11-9-20(10-12-28)26-25-27-23-7-5-6-8-24(23)31-25/h5-8,13-15,17-18,20H,9-12,16H2,1-4H3,(H,26,27)
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31n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of SST14 from human recombinant SST5 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6106-13 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.024
BindingDB Entry DOI: 10.7270/Q2PC32H9
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50311365
PNG
(CHEMBL1078449 | N-(1-(4-amino-3,5-diethoxybenzyl)p...)
Show SMILES CCOc1cc(CN2CCC(CC2)Nc2nc3ccccc3o2)cc(OCC)c1N
Show InChI InChI=1S/C23H30N4O3/c1-3-28-20-13-16(14-21(22(20)24)29-4-2)15-27-11-9-17(10-12-27)25-23-26-18-7-5-6-8-19(18)30-23/h5-8,13-14,17H,3-4,9-12,15,24H2,1-2H3,(H,25,26)
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33n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of SST14 from human recombinant SST5 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6106-13 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.024
BindingDB Entry DOI: 10.7270/Q2PC32H9
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50227117
PNG
(CHEMBL236611 | N-(1-(3-ethoxy-4-methylbenzyl)piper...)
Show SMILES CCOc1cc(CN2CCC(CC2)Nc2nc3ccccc3o2)ccc1C
Show InChI InChI=1S/C22H27N3O2/c1-3-26-21-14-17(9-8-16(21)2)15-25-12-10-18(11-13-25)23-22-24-19-6-4-5-7-20(19)27-22/h4-9,14,18H,3,10-13,15H2,1-2H3,(H,23,24)
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37n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [125I]11-Tyr somatostatin-14 from human SST5R expressed in CHO cells


J Med Chem 50: 6291-4 (2007)


Article DOI: 10.1021/jm701143p
BindingDB Entry DOI: 10.7270/Q2WS8T0K
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50227117
PNG
(CHEMBL236611 | N-(1-(3-ethoxy-4-methylbenzyl)piper...)
Show SMILES CCOc1cc(CN2CCC(CC2)Nc2nc3ccccc3o2)ccc1C
Show InChI InChI=1S/C22H27N3O2/c1-3-26-21-14-17(9-8-16(21)2)15-25-12-10-18(11-13-25)23-22-24-19-6-4-5-7-20(19)27-22/h4-9,14,18H,3,10-13,15H2,1-2H3,(H,23,24)
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37n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of SST14 from human recombinant SST5 receptor expressed in CHO cells by radioligand binding assay


Bioorg Med Chem Lett 19: 6106-13 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.024
BindingDB Entry DOI: 10.7270/Q2PC32H9
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM143694
PNG
(US9682959, 2 | US9751856, 2)
Show SMILES CN1C(=O)C(C)(C)N=C1c1ccc(cn1)C#Cc1ccccc1 |c:7|
Show InChI InChI=1S/C19H17N3O/c1-19(2)18(23)22(3)17(21-19)16-12-11-15(13-20-16)10-9-14-7-5-4-6-8-14/h4-8,11-13H,1-3H3
PDB

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US Patent
38n/an/an/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent




US Patent US9751856 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM143694
PNG
(US9682959, 2 | US9751856, 2)
Show SMILES CN1C(=O)C(C)(C)N=C1c1ccc(cn1)C#Cc1ccccc1 |c:7|
Show InChI InChI=1S/C19H17N3O/c1-19(2)18(23)22(3)17(21-19)16-12-11-15(13-20-16)10-9-14-7-5-4-6-8-14/h4-8,11-13H,1-3H3
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38n/an/an/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
cDNA encoding rat mGlu 5a receptor was transiently transfected into EBNA cells using a procedure described by E.-J. Schlaeger and K. Christensen (Cyt...


US Patent US9682959 (2017)


BindingDB Entry DOI: 10.7270/Q2TQ5ZPR
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50227130
PNG
(CHEMBL241328 | N-(1-((1,4-dimethoxynaphthalen-2-yl...)
Show SMILES COc1cc(CN2CCC(CC2)NC(=O)c2cncc(C)c2)c(OC)c2ccccc12
Show InChI InChI=1S/C25H29N3O3/c1-17-12-18(15-26-14-17)25(29)27-20-8-10-28(11-9-20)16-19-13-23(30-2)21-6-4-5-7-22(21)24(19)31-3/h4-7,12-15,20H,8-11,16H2,1-3H3,(H,27,29)
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40n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to human SST5R


J Med Chem 50: 6295-8 (2007)


Article DOI: 10.1021/jm701144e
BindingDB Entry DOI: 10.7270/Q2S18273
More data for this
Ligand-Target Pair
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