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BDBM50423462 CHEMBL251835

SMILES: CN1C[C@@H](C[C@H]2[C@H]1Cc1c(Br)[nH]c3cccc2c13)C(=O)N1CCN(CC1)c1ccc2nonc2c1

InChI Key: InChIKey=GZFMZJDVLOZLLL-OMXJDXKCSA-N

Data: 10 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 10 hits for monomerid = 50423462   
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 1


(Homo sapiens (Human))
BDBM50423462
PNG
(CHEMBL251835)
Show SMILES CN1C[C@@H](C[C@H]2[C@H]1Cc1c(Br)[nH]c3cccc2c13)C(=O)N1CCN(CC1)c1ccc2nonc2c1
Show InChI InChI=1S/C26H27BrN6O2/c1-31-14-15(11-18-17-3-2-4-21-24(17)19(13-23(18)31)25(27)28-21)26(34)33-9-7-32(8-10-33)16-5-6-20-22(12-16)30-35-29-20/h2-6,12,15,18,23,28H,7-11,13-14H2,1H3/t15-,18-,23-/m1/s1
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n/an/an/a 1.20n/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 5


(Homo sapiens (Human))
BDBM50423462
PNG
(CHEMBL251835)
Show SMILES CN1C[C@@H](C[C@H]2[C@H]1Cc1c(Br)[nH]c3cccc2c13)C(=O)N1CCN(CC1)c1ccc2nonc2c1
Show InChI InChI=1S/C26H27BrN6O2/c1-31-14-15(11-18-17-3-2-4-21-24(17)19(13-23(18)31)25(27)28-21)26(34)33-9-7-32(8-10-33)16-5-6-20-22(12-16)30-35-29-20/h2-6,12,15,18,23,28H,7-11,13-14H2,1H3/t15-,18-,23-/m1/s1
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n/an/an/a 6.46E+3n/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)
BDBM50423462
PNG
(CHEMBL251835)
Show SMILES CN1C[C@@H](C[C@H]2[C@H]1Cc1c(Br)[nH]c3cccc2c13)C(=O)N1CCN(CC1)c1ccc2nonc2c1
Show InChI InChI=1S/C26H27BrN6O2/c1-31-14-15(11-18-17-3-2-4-21-24(17)19(13-23(18)31)25(27)28-21)26(34)33-9-7-32(8-10-33)16-5-6-20-22(12-16)30-35-29-20/h2-6,12,15,18,23,28H,7-11,13-14H2,1H3/t15-,18-,23-/m1/s1
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n/an/an/a 0.372n/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
SSTR2


(RAT)
BDBM50423462
PNG
(CHEMBL251835)
Show SMILES CN1C[C@@H](C[C@H]2[C@H]1Cc1c(Br)[nH]c3cccc2c13)C(=O)N1CCN(CC1)c1ccc2nonc2c1
Show InChI InChI=1S/C26H27BrN6O2/c1-31-14-15(11-18-17-3-2-4-21-24(17)19(13-23(18)31)25(27)28-21)26(34)33-9-7-32(8-10-33)16-5-6-20-22(12-16)30-35-29-20/h2-6,12,15,18,23,28H,7-11,13-14H2,1H3/t15-,18-,23-/m1/s1
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n/an/an/a 6.46E+3n/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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50423462
PNG
(CHEMBL251835)
Show SMILES CN1C[C@@H](C[C@H]2[C@H]1Cc1c(Br)[nH]c3cccc2c13)C(=O)N1CCN(CC1)c1ccc2nonc2c1
Show InChI InChI=1S/C26H27BrN6O2/c1-31-14-15(11-18-17-3-2-4-21-24(17)19(13-23(18)31)25(27)28-21)26(34)33-9-7-32(8-10-33)16-5-6-20-22(12-16)30-35-29-20/h2-6,12,15,18,23,28H,7-11,13-14H2,1H3/t15-,18-,23-/m1/s1
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n/an/an/a 126n/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human dopamine D2 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))
BDBM50423462
PNG
(CHEMBL251835)
Show SMILES CN1C[C@@H](C[C@H]2[C@H]1Cc1c(Br)[nH]c3cccc2c13)C(=O)N1CCN(CC1)c1ccc2nonc2c1
Show InChI InChI=1S/C26H27BrN6O2/c1-31-14-15(11-18-17-3-2-4-21-24(17)19(13-23(18)31)25(27)28-21)26(34)33-9-7-32(8-10-33)16-5-6-20-22(12-16)30-35-29-20/h2-6,12,15,18,23,28H,7-11,13-14H2,1H3/t15-,18-,23-/m1/s1
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n/an/an/a 6.76E+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 4


(Homo sapiens (Human))
BDBM50423462
PNG
(CHEMBL251835)
Show SMILES CN1C[C@@H](C[C@H]2[C@H]1Cc1c(Br)[nH]c3cccc2c13)C(=O)N1CCN(CC1)c1ccc2nonc2c1
Show InChI InChI=1S/C26H27BrN6O2/c1-31-14-15(11-18-17-3-2-4-21-24(17)19(13-23(18)31)25(27)28-21)26(34)33-9-7-32(8-10-33)16-5-6-20-22(12-16)30-35-29-20/h2-6,12,15,18,23,28H,7-11,13-14H2,1H3/t15-,18-,23-/m1/s1
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n/an/an/a 3.63E+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 3


(Homo sapiens (Human))
BDBM50423462
PNG
(CHEMBL251835)
Show SMILES CN1C[C@@H](C[C@H]2[C@H]1Cc1c(Br)[nH]c3cccc2c13)C(=O)N1CCN(CC1)c1ccc2nonc2c1
Show InChI InChI=1S/C26H27BrN6O2/c1-31-14-15(11-18-17-3-2-4-21-24(17)19(13-23(18)31)25(27)28-21)26(34)33-9-7-32(8-10-33)16-5-6-20-22(12-16)30-35-29-20/h2-6,12,15,18,23,28H,7-11,13-14H2,1H3/t15-,18-,23-/m1/s1
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n/an/an/a 2.34E+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
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50423462
PNG
(CHEMBL251835)
Show SMILES CN1C[C@@H](C[C@H]2[C@H]1Cc1c(Br)[nH]c3cccc2c13)C(=O)N1CCN(CC1)c1ccc2nonc2c1
Show InChI InChI=1S/C26H27BrN6O2/c1-31-14-15(11-18-17-3-2-4-21-24(17)19(13-23(18)31)25(27)28-21)26(34)33-9-7-32(8-10-33)16-5-6-20-22(12-16)30-35-29-20/h2-6,12,15,18,23,28H,7-11,13-14H2,1H3/t15-,18-,23-/m1/s1
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n/an/an/a 78n/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human dopamine D4 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
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50423462
PNG
(CHEMBL251835)
Show SMILES CN1C[C@@H](C[C@H]2[C@H]1Cc1c(Br)[nH]c3cccc2c13)C(=O)N1CCN(CC1)c1ccc2nonc2c1
Show InChI InChI=1S/C26H27BrN6O2/c1-31-14-15(11-18-17-3-2-4-21-24(17)19(13-23(18)31)25(27)28-21)26(34)33-9-7-32(8-10-33)16-5-6-20-22(12-16)30-35-29-20/h2-6,12,15,18,23,28H,7-11,13-14H2,1H3/t15-,18-,23-/m1/s1
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n/an/an/a 28n/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT1A 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