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BDBM50311365 CHEMBL1078449::N-(1-(4-amino-3,5-diethoxybenzyl)piperidin-4-yl)benzo[d]oxazol-2-amine

SMILES: CCOc1cc(CN2CCC(CC2)Nc2nc3ccccc3o2)cc(OCC)c1N

InChI Key: InChIKey=BKXYGWGAVWDKTL-UHFFFAOYSA-N

Data: 4 KI

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 4 hits for monomerid = 50311365   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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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Article
PubMed
33n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

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 2


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



F. Hoffmann-La Roche Inc

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 3


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



F. Hoffmann-La Roche Inc

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 4


(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)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

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



F. Hoffmann-La Roche Inc

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