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BDBM50169471 4-{3-[2-(7-Chloro-1H-indol-3-yl)-ethylsulfanyl]-5-quinolin-2-yl-[1,2,4]triazol-4-yl}-butylamine::CHEMBL185861

SMILES: NCCCCn1c(SCCc2c[nH]c3c(Cl)cccc23)nnc1-c1ccc2ccccc2n1

InChI Key: InChIKey=IAQRYTGTYQRUQR-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50169471   
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 2


(Homo sapiens (Human))
BDBM50169471
PNG
(4-{3-[2-(7-Chloro-1H-indol-3-yl)-ethylsulfanyl]-5-...)
Show SMILES NCCCCn1c(SCCc2c[nH]c3c(Cl)cccc23)nnc1-c1ccc2ccccc2n1
Show InChI InChI=1S/C25H25ClN6S/c26-20-8-5-7-19-18(16-28-23(19)20)12-15-33-25-31-30-24(32(25)14-4-3-13-27)22-11-10-17-6-1-2-9-21(17)29-22/h1-2,5-11,16,28H,3-4,12-15,27H2
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PubMed
4n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Inhibitory constant against human sst2 receptor at a dose of 10 uM


Bioorg Med Chem Lett 15: 3555-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.061
BindingDB Entry DOI: 10.7270/Q2W66MH6
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50169471
PNG
(4-{3-[2-(7-Chloro-1H-indol-3-yl)-ethylsulfanyl]-5-...)
Show SMILES NCCCCn1c(SCCc2c[nH]c3c(Cl)cccc23)nnc1-c1ccc2ccccc2n1
Show InChI InChI=1S/C25H25ClN6S/c26-20-8-5-7-19-18(16-28-23(19)20)12-15-33-25-31-30-24(32(25)14-4-3-13-27)22-11-10-17-6-1-2-9-21(17)29-22/h1-2,5-11,16,28H,3-4,12-15,27H2
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8.40n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Inhibitory constant against human sst5 receptor at a dose of 10 uM


Bioorg Med Chem Lett 15: 3555-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.061
BindingDB Entry DOI: 10.7270/Q2W66MH6
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50169471
PNG
(4-{3-[2-(7-Chloro-1H-indol-3-yl)-ethylsulfanyl]-5-...)
Show SMILES NCCCCn1c(SCCc2c[nH]c3c(Cl)cccc23)nnc1-c1ccc2ccccc2n1
Show InChI InChI=1S/C25H25ClN6S/c26-20-8-5-7-19-18(16-28-23(19)20)12-15-33-25-31-30-24(32(25)14-4-3-13-27)22-11-10-17-6-1-2-9-21(17)29-22/h1-2,5-11,16,28H,3-4,12-15,27H2
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97n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Binding affinity against human sst3 receptor at 10 uM


Bioorg Med Chem Lett 15: 3555-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.061
BindingDB Entry DOI: 10.7270/Q2W66MH6
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50169471
PNG
(4-{3-[2-(7-Chloro-1H-indol-3-yl)-ethylsulfanyl]-5-...)
Show SMILES NCCCCn1c(SCCc2c[nH]c3c(Cl)cccc23)nnc1-c1ccc2ccccc2n1
Show InChI InChI=1S/C25H25ClN6S/c26-20-8-5-7-19-18(16-28-23(19)20)12-15-33-25-31-30-24(32(25)14-4-3-13-27)22-11-10-17-6-1-2-9-21(17)29-22/h1-2,5-11,16,28H,3-4,12-15,27H2
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130n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Binding affinity against human sst4 receptor at a dose of 10 uM


Bioorg Med Chem Lett 15: 3555-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.061
BindingDB Entry DOI: 10.7270/Q2W66MH6
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50169471
PNG
(4-{3-[2-(7-Chloro-1H-indol-3-yl)-ethylsulfanyl]-5-...)
Show SMILES NCCCCn1c(SCCc2c[nH]c3c(Cl)cccc23)nnc1-c1ccc2ccccc2n1
Show InChI InChI=1S/C25H25ClN6S/c26-20-8-5-7-19-18(16-28-23(19)20)12-15-33-25-31-30-24(32(25)14-4-3-13-27)22-11-10-17-6-1-2-9-21(17)29-22/h1-2,5-11,16,28H,3-4,12-15,27H2
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PubMed
180n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Binding affinity against human sst1 receptor at a dose of 10 uM


Bioorg Med Chem Lett 15: 3555-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.061
BindingDB Entry DOI: 10.7270/Q2W66MH6
More data for this
Ligand-Target Pair