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BDBM50311336 2-(1-(3,5-diethoxy-4-fluorobenzyl)piperidin-4-ylamino)benzo[d]oxazole-6-carboxylic acid::CHEMBL1079874

SMILES: CCOc1cc(CN2CCC(CC2)Nc2nc3ccc(cc3o2)C(O)=O)cc(OCC)c1F

InChI Key: InChIKey=GPUPSEARQVSUKB-UHFFFAOYSA-N

Data: 5 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50311336   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Somatostatin receptor type 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 3


(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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>1.00E+4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of SST14 from human recombinant SST3 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 1


(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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>1.00E+4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of SST14 from human recombinant SST1 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 2


(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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>1.00E+4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of SST14 from human recombinant SST2 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 4


(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)
KEGG

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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of SST14 from human recombinant SST4 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))
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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n/an/a 72n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


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