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BDBM50423464 CHEMBL252231

SMILES: CN1C[C@H](C[C@@H]2[C@@H]1Cc1c(Br)[nH]c3cccc2c13)C(=O)N1CCN(CC1)c1cccc(=O)n1C

InChI Key: InChIKey=AWFDCTXCTHGORH-MDKPJZGXSA-N

Data: 7 Kd

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 7 hits for monomerid = 50423464   
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 4


(Homo sapiens (Human))
BDBM50423464
PNG
(CHEMBL252231)
Show SMILES CN1C[C@H](C[C@@H]2[C@@H]1Cc1c(Br)[nH]c3cccc2c13)C(=O)N1CCN(CC1)c1cccc(=O)n1C
Show InChI InChI=1S/C26H30BrN5O2/c1-29-15-16(13-18-17-5-3-6-20-24(17)19(14-21(18)29)25(27)28-20)26(34)32-11-9-31(10-12-32)22-7-4-8-23(33)30(22)2/h3-8,16,18,21,28H,9-15H2,1-2H3/t16-,18-,21-/m0/s1
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n/an/an/a 8.13E+3n/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant sst4 receptor


Bioorg Med Chem Lett 18: 979-82 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.030
BindingDB Entry DOI: 10.7270/Q2WQ053B
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50423464
PNG
(CHEMBL252231)
Show SMILES CN1C[C@H](C[C@@H]2[C@@H]1Cc1c(Br)[nH]c3cccc2c13)C(=O)N1CCN(CC1)c1cccc(=O)n1C
Show InChI InChI=1S/C26H30BrN5O2/c1-29-15-16(13-18-17-5-3-6-20-24(17)19(14-21(18)29)25(27)28-20)26(34)32-11-9-31(10-12-32)22-7-4-8-23(33)30(22)2/h3-8,16,18,21,28H,9-15H2,1-2H3/t16-,18-,21-/m0/s1
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n/an/an/a 9.33E+3n/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant sst2 receptor


Bioorg Med Chem Lett 18: 979-82 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.030
BindingDB Entry DOI: 10.7270/Q2WQ053B
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50423464
PNG
(CHEMBL252231)
Show SMILES CN1C[C@H](C[C@@H]2[C@@H]1Cc1c(Br)[nH]c3cccc2c13)C(=O)N1CCN(CC1)c1cccc(=O)n1C
Show InChI InChI=1S/C26H30BrN5O2/c1-29-15-16(13-18-17-5-3-6-20-24(17)19(14-21(18)29)25(27)28-20)26(34)32-11-9-31(10-12-32)22-7-4-8-23(33)30(22)2/h3-8,16,18,21,28H,9-15H2,1-2H3/t16-,18-,21-/m0/s1
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n/an/an/a 1.95E+3n/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant sst1 receptor


Bioorg Med Chem Lett 18: 979-82 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.030
BindingDB Entry DOI: 10.7270/Q2WQ053B
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50423464
PNG
(CHEMBL252231)
Show SMILES CN1C[C@H](C[C@@H]2[C@@H]1Cc1c(Br)[nH]c3cccc2c13)C(=O)N1CCN(CC1)c1cccc(=O)n1C
Show InChI InChI=1S/C26H30BrN5O2/c1-29-15-16(13-18-17-5-3-6-20-24(17)19(14-21(18)29)25(27)28-20)26(34)32-11-9-31(10-12-32)22-7-4-8-23(33)30(22)2/h3-8,16,18,21,28H,9-15H2,1-2H3/t16-,18-,21-/m0/s1
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n/an/an/a 5.37E+3n/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant sst3 receptor


Bioorg Med Chem Lett 18: 979-82 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.030
BindingDB Entry DOI: 10.7270/Q2WQ053B
More data for this
Ligand-Target Pair
SSTR2


(RAT)
BDBM50423464
PNG
(CHEMBL252231)
Show SMILES CN1C[C@H](C[C@@H]2[C@@H]1Cc1c(Br)[nH]c3cccc2c13)C(=O)N1CCN(CC1)c1cccc(=O)n1C
Show InChI InChI=1S/C26H30BrN5O2/c1-29-15-16(13-18-17-5-3-6-20-24(17)19(14-21(18)29)25(27)28-20)26(34)32-11-9-31(10-12-32)22-7-4-8-23(33)30(22)2/h3-8,16,18,21,28H,9-15H2,1-2H3/t16-,18-,21-/m0/s1
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n/an/an/a 2.04E+4n/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I][Tyr3]octreotide from sst2 receptor in rat cortex


Bioorg Med Chem Lett 18: 979-82 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.030
BindingDB Entry DOI: 10.7270/Q2WQ053B
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50423464
PNG
(CHEMBL252231)
Show SMILES CN1C[C@H](C[C@@H]2[C@@H]1Cc1c(Br)[nH]c3cccc2c13)C(=O)N1CCN(CC1)c1cccc(=O)n1C
Show InChI InChI=1S/C26H30BrN5O2/c1-29-15-16(13-18-17-5-3-6-20-24(17)19(14-21(18)29)25(27)28-20)26(34)32-11-9-31(10-12-32)22-7-4-8-23(33)30(22)2/h3-8,16,18,21,28H,9-15H2,1-2H3/t16-,18-,21-/m0/s1
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n/an/an/a 6.92E+4n/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant sst5 receptor


Bioorg Med Chem Lett 18: 979-82 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.030
BindingDB Entry DOI: 10.7270/Q2WQ053B
More data for this
Ligand-Target Pair
SSTR1


(RAT)
BDBM50423464
PNG
(CHEMBL252231)
Show SMILES CN1C[C@H](C[C@@H]2[C@@H]1Cc1c(Br)[nH]c3cccc2c13)C(=O)N1CCN(CC1)c1cccc(=O)n1C
Show InChI InChI=1S/C26H30BrN5O2/c1-29-15-16(13-18-17-5-3-6-20-24(17)19(14-21(18)29)25(27)28-20)26(34)32-11-9-31(10-12-32)22-7-4-8-23(33)30(22)2/h3-8,16,18,21,28H,9-15H2,1-2H3/t16-,18-,21-/m0/s1
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n/an/an/a 417n/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [125I]SRIF14 from sst1 receptor in rat cortex


Bioorg Med Chem Lett 18: 979-82 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.030
BindingDB Entry DOI: 10.7270/Q2WQ053B
More data for this
Ligand-Target Pair