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PubMed code 19786348

Compile Data Set for Download or QSAR

Found 261 hits of Enzyme Inhibition Constant Data   
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))		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))		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))		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))		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))		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))		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))		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)
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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))		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))		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))		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
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
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
Somatostatin receptor type 5


(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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 205n/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))		BDBM50311352
PNG
(2-(1-(3-ethoxy-4-methoxybenzyl)piperidin-4-ylamino...)
Show SMILES CCOc1cc(CN2CCC(CC2)Nc2nc3cc(ccc3o2)S(=O)(=O)N(C)C)ccc1OC
Show InChI InChI=1S/C24H32N4O5S/c1-5-32-23-14-17(6-8-22(23)31-4)16-28-12-10-18(11-13-28)25-24-26-20-15-19(7-9-21(20)33-24)34(29,30)27(2)3/h6-9,14-15,18H,5,10-13,16H2,1-4H3,(H,25,26)
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 226n/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))		BDBM50311331
PNG
(6-chloro-N-(1-(4-chloro-3-ethoxybenzyl)piperidin-4...)
Show SMILES CCOc1cc(CN2CCC(CC2)Nc2nc3ccc(Cl)cc3o2)ccc1Cl
Show InChI InChI=1S/C21H23Cl2N3O2/c1-2-27-19-11-14(3-5-17(19)23)13-26-9-7-16(8-10-26)24-21-25-18-6-4-15(22)12-20(18)28-21/h3-6,11-12,16H,2,7-10,13H2,1H3,(H,24,25)
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 239n/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))		BDBM50311349
PNG
(CHEMBL1079314 | N-(1-(3-ethoxy-4-methoxybenzyl)pip...)
Show SMILES CCOc1cc(CN2CCC(CC2)Nc2nc3cc(ccc3o2)[N+]([O-])=O)ccc1OC
Show InChI InChI=1S/C22H26N4O5/c1-3-30-21-12-15(4-6-20(21)29-2)14-25-10-8-16(9-11-25)23-22-24-18-13-17(26(27)28)5-7-19(18)31-22/h4-7,12-13,16H,3,8-11,14H2,1-2H3,(H,23,24)
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 252n/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))		BDBM50311330
PNG
(5-chloro-2-(1-(3,5-diethoxy-4-fluorobenzyl)piperid...)
Show SMILES CCOc1cc(CN2CCC(CC2)Nc2nc3cc(Cl)c(cc3o2)S(N)(=O)=O)cc(OCC)c1F
Show InChI InChI=1S/C23H28ClFN4O5S/c1-3-32-19-9-14(10-20(22(19)25)33-4-2)13-29-7-5-15(6-8-29)27-23-28-17-11-16(24)21(35(26,30)31)12-18(17)34-23/h9-12,15H,3-8,13H2,1-2H3,(H,27,28)(H2,26,30,31)
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 252n/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))		BDBM50311326
PNG
(5-chloro-2-(1-(3-ethoxy-4-fluorobenzyl)piperidin-4...)
Show SMILES CCOc1cc(CN2CCC(CC2)Nc2nc3cc(Cl)c(cc3o2)S(N)(=O)=O)ccc1F
Show InChI InChI=1S/C21H24ClFN4O4S/c1-2-30-18-9-13(3-4-16(18)23)12-27-7-5-14(6-8-27)25-21-26-17-10-15(22)20(32(24,28)29)11-19(17)31-21/h3-4,9-11,14H,2,5-8,12H2,1H3,(H,25,26)(H2,24,28,29)
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 252n/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))		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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 266n/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
Somatostatin receptor type 5


(Homo sapiens (Human))		BDBM50227105
PNG
(CHEMBL391951 | N-(1-(4-methoxy-3-propoxybenzyl)pip...)
Show SMILES CCCOc1cc(CN2CCC(CC2)Nc2nc3ccccc3o2)ccc1OC
Show InChI InChI=1S/C23H29N3O3/c1-3-14-28-22-15-17(8-9-21(22)27-2)16-26-12-10-18(11-13-26)24-23-25-19-6-4-5-7-20(19)29-23/h4-9,15,18H,3,10-14,16H2,1-2H3,(H,24,25)
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 293n/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))		BDBM50311346
PNG
(CHEMBL1081317 | N-(1-(3-ethoxy-4-methoxybenzyl)pip...)
Show SMILES CCOc1cc(CN2CCC(CC2)Nc2nc3cccnc3s2)ccc1OC
Show InChI InChI=1S/C21H26N4O2S/c1-3-27-19-13-15(6-7-18(19)26-2)14-25-11-8-16(9-12-25)23-21-24-17-5-4-10-22-20(17)28-21/h4-7,10,13,16H,3,8-9,11-12,14H2,1-2H3,(H,23,24)
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 309n/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))		BDBM50311337
PNG
(CHEMBL1078903 | N-(1-(3-ethoxy-4-methoxyphenyl)pip...)
Show SMILES CCOc1cc(ccc1OC)N1CCC(CC1)Nc1nc2ccccc2s1
Show InChI InChI=1S/C21H25N3O2S/c1-3-26-19-14-16(8-9-18(19)25-2)24-12-10-15(11-13-24)22-21-23-17-6-4-5-7-20(17)27-21/h4-9,14-15H,3,10-13H2,1-2H3,(H,22,23)
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 330n/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))		BDBM50311353
PNG
(5-chloro-2-(1-(3-ethoxy-4-methoxybenzyl)piperidin-...)
Show SMILES CCOc1cc(CN2CCC(CC2)Nc2nc3cc(Cl)c(cc3o2)S(N)(=O)=O)ccc1OC
Show InChI InChI=1S/C22H27ClN4O5S/c1-3-31-20-10-14(4-5-18(20)30-2)13-27-8-6-15(7-9-27)25-22-26-17-11-16(23)21(33(24,28)29)12-19(17)32-22/h4-5,10-12,15H,3,6-9,13H2,1-2H3,(H,25,26)(H2,24,28,29)
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 343n/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))		BDBM50311350
PNG
(CHEMBL1078215 | N-(1-(3-ethoxy-4-methoxybenzyl)pip...)
Show SMILES CCOc1cc(CN2CCC(CC2)Nc2nc3cc(OC(F)(F)F)ccc3o2)ccc1OC
Show InChI InChI=1S/C23H26F3N3O4/c1-3-31-21-12-15(4-6-20(21)30-2)14-29-10-8-16(9-11-29)27-22-28-18-13-17(33-23(24,25)26)5-7-19(18)32-22/h4-7,12-13,16H,3,8-11,14H2,1-2H3,(H,27,28)
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 354n/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))		BDBM50311351
PNG
(CHEMBL1078283 | N-(2-(1-(3-ethoxy-4-methoxybenzyl)...)
Show SMILES CCOc1cc(CN2CCC(CC2)Nc2nc3cc(NC(C)=O)ccc3o2)ccc1OC
Show InChI InChI=1S/C24H30N4O4/c1-4-31-23-13-17(5-7-22(23)30-3)15-28-11-9-18(10-12-28)26-24-27-20-14-19(25-16(2)29)6-8-21(20)32-24/h5-8,13-14,18H,4,9-12,15H2,1-3H3,(H,25,29)(H,26,27)
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 357n/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))		BDBM50311345
PNG
(6-chloro-N-(1-(3-ethoxy-4-methoxybenzyl)piperidin-...)
Show SMILES CCOc1cc(CN2CCC(CC2)Nc2nc3ccc(Cl)cc3s2)ccc1OC
Show InChI InChI=1S/C22H26ClN3O2S/c1-3-28-20-12-15(4-7-19(20)27-2)14-26-10-8-17(9-11-26)24-22-25-18-6-5-16(23)13-21(18)29-22/h4-7,12-13,17H,3,8-11,14H2,1-2H3,(H,24,25)
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 361n/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))		BDBM50311358
PNG
(CHEMBL1078841 | N-(1-(3-(ethylamino)-4-methoxybenz...)
Show SMILES CCNc1cc(CN2CCC(CC2)Nc2nc3ccccc3o2)ccc1OC
Show InChI InChI=1S/C22H28N4O2/c1-3-23-19-14-16(8-9-20(19)27-2)15-26-12-10-17(11-13-26)24-22-25-18-6-4-5-7-21(18)28-22/h4-9,14,17,23H,3,10-13,15H2,1-2H3,(H,24,25)
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 371n/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))		BDBM50311360
PNG
(CHEMBL1077742 | N-(1-(3,4-dimethoxybenzyl)piperidi...)
Show SMILES COc1ccc(CN2CCC(CC2)Nc2nc3ccccc3o2)cc1OC
Show InChI InChI=1S/C21H25N3O3/c1-25-19-8-7-15(13-20(19)26-2)14-24-11-9-16(10-12-24)22-21-23-17-5-3-4-6-18(17)27-21/h3-8,13,16H,9-12,14H2,1-2H3,(H,22,23)
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 472n/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))		BDBM50311361
PNG
(CHEMBL1077877 | N-(1-(3-(2-fluoroethoxy)-4-methoxy...)
Show SMILES COc1ccc(CN2CCC(CC2)Nc2nc3ccccc3o2)cc1OCCF
Show InChI InChI=1S/C22H26FN3O3/c1-27-20-7-6-16(14-21(20)28-13-10-23)15-26-11-8-17(9-12-26)24-22-25-18-4-2-3-5-19(18)29-22/h2-7,14,17H,8-13,15H2,1H3,(H,24,25)
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 487n/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))		BDBM50227107
PNG
(2-(1-(3-ethoxy-4-methoxybenzyl)piperidin-4-ylamino...)
Show SMILES CCOc1cc(CN2CCC(CC2)Nc2nc3cc(ccc3o2)S(N)(=O)=O)ccc1OC
Show InChI InChI=1S/C22H28N4O5S/c1-3-30-21-12-15(4-6-20(21)29-2)14-26-10-8-16(9-11-26)24-22-25-18-13-17(32(23,27)28)5-7-19(18)31-22/h4-7,12-13,16H,3,8-11,14H2,1-2H3,(H,24,25)(H2,23,27,28)
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 520n/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
Somatostatin receptor type 5


(Homo sapiens (Human))		BDBM50311362
PNG
(CHEMBL1077887 | N-(1-(3-ethoxy-4-(trifluoromethyl)...)
Show SMILES CCOc1cc(CN2CCC(CC2)Nc2nc3ccccc3o2)ccc1C(F)(F)F
Show InChI InChI=1S/C22H24F3N3O2/c1-2-29-20-13-15(7-8-17(20)22(23,24)25)14-28-11-9-16(10-12-28)26-21-27-18-5-3-4-6-19(18)30-21/h3-8,13,16H,2,9-12,14H2,1H3,(H,26,27)
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 524n/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))		BDBM50227107
PNG
(2-(1-(3-ethoxy-4-methoxybenzyl)piperidin-4-ylamino...)
Show SMILES CCOc1cc(CN2CCC(CC2)Nc2nc3cc(ccc3o2)S(N)(=O)=O)ccc1OC
Show InChI InChI=1S/C22H28N4O5S/c1-3-30-21-12-15(4-6-20(21)29-2)14-26-10-8-16(9-11-26)24-22-25-18-13-17(32(23,27)28)5-7-19(18)31-22/h4-7,12-13,16H,3,8-11,14H2,1-2H3,(H,24,25)(H2,23,27,28)
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 529n/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))		BDBM50311363
PNG
(CHEMBL1078081 | N-(1-(4-cyclopropoxy-3-ethoxybenzy...)
Show SMILES CCOc1cc(CN2CCC(CC2)Nc2nc3ccccc3o2)ccc1OC1CC1
Show InChI InChI=1S/C24H29N3O3/c1-2-28-23-15-17(7-10-22(23)29-19-8-9-19)16-27-13-11-18(12-14-27)25-24-26-20-5-3-4-6-21(20)30-24/h3-7,10,15,18-19H,2,8-9,11-14,16H2,1H3,(H,25,26)
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 537n/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))		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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 624n/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
Somatostatin receptor type 5


(Homo sapiens (Human))		BDBM50311354
PNG
(CHEMBL1077721 | N-(1-(3-ethoxy-4-methoxybenzyl)pip...)
Show SMILES CCOc1cc(CN2CCC(CC2)Nc2nc3cccnc3o2)ccc1OC
Show InChI InChI=1S/C21H26N4O3/c1-3-27-19-13-15(6-7-18(19)26-2)14-25-11-8-16(9-12-25)23-21-24-17-5-4-10-22-20(17)28-21/h4-7,10,13,16H,3,8-9,11-12,14H2,1-2H3,(H,23,24)
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 633n/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
Displayed 1 to 50 (of 261 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%