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Compile Data Set for Download or QSAR

Found 304 hits with Last Name = 'christ' and Initial = 'ad'   
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))
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))
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))
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
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
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
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))
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
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))
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 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))
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
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 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
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50227111
PNG
(CHEMBL236587 | N-(1-(3-ethoxy-4-methoxybenzyl)pipe...)
Show SMILES CCOc1cc(CN2CCC(CC2)Nc2nc3ccccc3o2)ccc1OC
Show InChI InChI=1S/C22H27N3O3/c1-3-27-21-14-16(8-9-20(21)26-2)15-25-12-10-17(11-13-25)23-22-24-18-6-4-5-7-19(18)28-22/h4-9,14,17H,3,10-13,15H2,1-2H3,(H,23,24)
PDB

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41n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2B receptor


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))
BDBM50311328
PNG
(2-(1-(3,5-diethoxy-4-(1H-pyrrol-1-yl)benzyl)piperi...)
Show SMILES CCOc1cc(CN2CCC(CC2)Nc2nc3cc(ccc3o2)S(=O)(=O)N(C)C)cc(OCC)c1-n1cccc1
Show InChI InChI=1S/C29H37N5O5S/c1-5-37-26-17-21(18-27(38-6-2)28(26)34-13-7-8-14-34)20-33-15-11-22(12-16-33)30-29-31-24-19-23(9-10-25(24)39-29)40(35,36)32(3)4/h7-10,13-14,17-19,22H,5-6,11-12,15-16,20H2,1-4H3,(H,30,31)
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52n/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))
BDBM50311329
PNG
(CHEMBL1082036 | N-(1-(3-ethoxy-5-(tetrahydro-2H-py...)
Show SMILES CCOc1cc(CN2CCC(CC2)Nc2nc3cc(ccc3o2)S(=O)(=O)CC)cc(OC2CCOCC2)c1
Show InChI InChI=1S/C28H37N3O6S/c1-3-35-23-15-20(16-24(17-23)36-22-9-13-34-14-10-22)19-31-11-7-21(8-12-31)29-28-30-26-18-25(38(32,33)4-2)5-6-27(26)37-28/h5-6,15-18,21-22H,3-4,7-14,19H2,1-2H3,(H,29,30)
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55n/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))
BDBM50227106
PNG
(4-((4-(benzo[d]oxazol-2-ylamino)piperidin-1-yl)met...)
Show SMILES CCOc1cc(CN2CCC(CC2)Nc2nc3ccccc3o2)ccc1O
Show InChI InChI=1S/C21H25N3O3/c1-2-26-20-13-15(7-8-18(20)25)14-24-11-9-16(10-12-24)22-21-23-17-5-3-4-6-19(17)27-21/h3-8,13,16,25H,2,9-12,14H2,1H3,(H,22,23)
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66n/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
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50227112
PNG
(CHEMBL236610 | N-(1-(4-chloro-3-ethoxybenzyl)piper...)
Show SMILES CCOc1cc(CN2CCC(CC2)Nc2nc3ccccc3o2)ccc1Cl
Show InChI InChI=1S/C21H24ClN3O2/c1-2-26-20-13-15(7-8-17(20)22)14-25-11-9-16(10-12-25)23-21-24-18-5-3-4-6-19(18)27-21/h3-8,13,16H,2,9-12,14H2,1H3,(H,23,24)
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74n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2B receptor


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))
BDBM50227109
PNG
(CHEMBL393333 | N-(1-(3-(cyclopentyloxy)-4-methoxyb...)
Show SMILES COc1ccc(CN2CCC(CC2)Nc2nc3ccccc3o2)cc1OC1CCCC1
Show InChI InChI=1S/C25H31N3O3/c1-29-23-11-10-18(16-24(23)30-20-6-2-3-7-20)17-28-14-12-19(13-15-28)26-25-27-21-8-4-5-9-22(21)31-25/h4-5,8-11,16,19-20H,2-3,6-7,12-15,17H2,1H3,(H,26,27)
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83n/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
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50311321
PNG
(CHEMBL1078745 | N-(1-(3-ethoxy-5-(tetrahydro-2H-py...)
Show SMILES CCOc1cc(CN2CCC(CC2)Nc2nc3ccccc3o2)cc(OC2CCOCC2)c1
Show InChI InChI=1S/C26H33N3O4/c1-2-31-22-15-19(16-23(17-22)32-21-9-13-30-14-10-21)18-29-11-7-20(8-12-29)27-26-28-24-5-3-4-6-25(24)33-26/h3-6,15-17,20-21H,2,7-14,18H2,1H3,(H,27,28)
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94n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2B receptor


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))
BDBM50227112
PNG
(CHEMBL236610 | N-(1-(4-chloro-3-ethoxybenzyl)piper...)
Show SMILES CCOc1cc(CN2CCC(CC2)Nc2nc3ccccc3o2)ccc1Cl
Show InChI InChI=1S/C21H24ClN3O2/c1-2-26-20-13-15(7-8-17(20)22)14-25-11-9-16(10-12-25)23-21-24-18-5-3-4-6-19(18)27-21/h3-8,13,16H,2,9-12,14H2,1H3,(H,23,24)
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113n/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))
BDBM50227111
PNG
(CHEMBL236587 | N-(1-(3-ethoxy-4-methoxybenzyl)pipe...)
Show SMILES CCOc1cc(CN2CCC(CC2)Nc2nc3ccccc3o2)ccc1OC
Show InChI InChI=1S/C22H27N3O3/c1-3-27-21-14-16(8-9-20(21)26-2)15-25-12-10-17(11-13-25)23-22-24-18-6-4-5-7-19(18)28-22/h4-9,14,17H,3,10-13,15H2,1-2H3,(H,23,24)
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121n/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))
BDBM50311319
PNG
(CHEMBL1078450 | ethyl 4-((4-(benzo[d]oxazol-2-ylam...)
Show SMILES CCOC(=O)c1c(OCC)cc(CN2CCC(CC2)Nc2nc3ccccc3o2)cc1OCC
Show InChI InChI=1S/C26H33N3O5/c1-4-31-22-15-18(16-23(32-5-2)24(22)25(30)33-6-3)17-29-13-11-19(12-14-29)27-26-28-20-9-7-8-10-21(20)34-26/h7-10,15-16,19H,4-6,11-14,17H2,1-3H3,(H,27,28)
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156n/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))
BDBM50311332
PNG
(CHEMBL1081133 | N-(2-(1-(3-ethoxy-4-methoxybenzyl)...)
Show SMILES CCOc1cc(CN2CCC(CC2)Nc2nc3cc(NS(=O)(=O)c4cn(C)cn4)ccc3o2)ccc1OC
Show InChI InChI=1S/C26H32N6O5S/c1-4-36-24-13-18(5-7-23(24)35-3)15-32-11-9-19(10-12-32)28-26-29-21-14-20(6-8-22(21)37-26)30-38(33,34)25-16-31(2)17-27-25/h5-8,13-14,16-17,19,30H,4,9-12,15H2,1-3H3,(H,28,29)
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175n/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))
BDBM50311320
PNG
(CHEMBL1078451 | N-(1-(3,5-diethoxy-4-fluorobenzyl)...)
Show SMILES CCOc1cc(CN2CCC(CC2)Nc2nc3ccccc3o2)cc(OCC)c1F
Show InChI InChI=1S/C23H28FN3O3/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,3-4,9-12,15H2,1-2H3,(H,25,26)
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178n/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))
BDBM50311325
PNG
(CHEMBL1078896 | N-(2-(1-(3-ethoxy-4-methoxybenzyl)...)
Show SMILES CCOc1cc(CN2CCC(CC2)Nc2nc3cc(NC(=O)C4CCC4)ccc3o2)ccc1OC
Show InChI InChI=1S/C27H34N4O4/c1-3-34-25-15-18(7-9-24(25)33-2)17-31-13-11-20(12-14-31)29-27-30-22-16-21(8-10-23(22)35-27)28-26(32)19-5-4-6-19/h7-10,15-16,19-20H,3-6,11-14,17H2,1-2H3,(H,28,32)(H,29,30)
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182n/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))
BDBM50227114
PNG
(CHEMBL393436 | N-(1-(3-ethoxy-4-fluorobenzyl)piper...)
Show SMILES CCOc1cc(CN2CCC(CC2)Nc2nc3ccccc3o2)ccc1F
Show InChI InChI=1S/C21H24FN3O2/c1-2-26-20-13-15(7-8-17(20)22)14-25-11-9-16(10-12-25)23-21-24-18-5-3-4-6-19(18)27-21/h3-8,13,16H,2,9-12,14H2,1H3,(H,23,24)
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194n/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))
BDBM50311347
PNG
(5-chloro-N-(1-(3-ethoxy-4-methoxybenzyl)piperidin-...)
Show SMILES CCOc1cc(CN2CCC(CC2)Nc2nc3cc(Cl)ccc3o2)ccc1OC
Show InChI InChI=1S/C22H26ClN3O3/c1-3-28-21-12-15(4-6-20(21)27-2)14-26-10-8-17(9-11-26)24-22-25-18-13-16(23)5-7-19(18)29-22/h4-7,12-13,17H,3,8-11,14H2,1-2H3,(H,24,25)
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194n/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))
BDBM50311348
PNG
(CHEMBL1079313 | N-(1-(3-ethoxy-4-methoxybenzyl)pip...)
Show SMILES CCOc1cc(CN2CCC(CC2)Nc2nc3cc(ccc3o2)S(=O)(=O)CC)ccc1OC
Show InChI InChI=1S/C24H31N3O5S/c1-4-31-23-14-17(6-8-22(23)30-3)16-27-12-10-18(11-13-27)25-24-26-20-15-19(33(28,29)5-2)7-9-21(20)32-24/h6-9,14-15,18H,4-5,10-13,16H2,1-3H3,(H,25,26)
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196n/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))
BDBM50311321
PNG
(CHEMBL1078745 | N-(1-(3-ethoxy-5-(tetrahydro-2H-py...)
Show SMILES CCOc1cc(CN2CCC(CC2)Nc2nc3ccccc3o2)cc(OC2CCOCC2)c1
Show InChI InChI=1S/C26H33N3O4/c1-2-31-22-15-19(16-23(17-22)32-21-9-13-30-14-10-21)18-29-11-7-20(8-12-29)27-26-28-24-5-3-4-6-25(24)33-26/h3-6,15-17,20-21H,2,7-14,18H2,1H3,(H,27,28)
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199n/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
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50311327
PNG
(CHEMBL1077908 | N-(2-(1-(3-ethoxy-4-methoxybenzyl)...)
Show SMILES CCOc1cc(CN2CCC(CC2)Nc2nc3cc(NS(=O)(=O)c4ccccc4)ccc3o2)ccc1OC
Show InChI InChI=1S/C28H32N4O5S/c1-3-36-27-17-20(9-11-26(27)35-2)19-32-15-13-21(14-16-32)29-28-30-24-18-22(10-12-25(24)37-28)31-38(33,34)23-7-5-4-6-8-23/h4-12,17-18,21,31H,3,13-16,19H2,1-2H3,(H,29,30)
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199n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H1 receptor


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
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