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BDBM50169467 4-{3-[2-(5-Chloro-1H-indol-3-yl)-ethylsulfanyl]-5-quinolin-2-yl-[1,2,4]triazol-4-yl}-butylamine::CHEMBL189554

SMILES: NCCCCn1c(SCCc2c[nH]c3ccc(Cl)cc23)nnc1-c1ccc2ccccc2n1

InChI Key: InChIKey=JZSSOKLDWIJDBZ-UHFFFAOYSA-N

Data: 2 KI  2 EC50

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 = 50169467   
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))
BDBM50169467
PNG
(4-{3-[2-(5-Chloro-1H-indol-3-yl)-ethylsulfanyl]-5-...)
Show SMILES NCCCCn1c(SCCc2c[nH]c3ccc(Cl)cc23)nnc1-c1ccc2ccccc2n1
Show InChI InChI=1S/C25H25ClN6S/c26-19-8-10-22-20(15-19)18(16-28-22)11-14-33-25-31-30-24(32(25)13-4-3-12-27)23-9-7-17-5-1-2-6-21(17)29-23/h1-2,5-10,15-16,28H,3-4,11-14,27H2
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KEGG

UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.30n/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 2


(Homo sapiens (Human))
BDBM50169467
PNG
(4-{3-[2-(5-Chloro-1H-indol-3-yl)-ethylsulfanyl]-5-...)
Show SMILES NCCCCn1c(SCCc2c[nH]c3ccc(Cl)cc23)nnc1-c1ccc2ccccc2n1
Show InChI InChI=1S/C25H25ClN6S/c26-19-8-10-22-20(15-19)18(16-28-22)11-14-33-25-31-30-24(32(25)13-4-3-12-27)23-9-7-17-5-1-2-6-21(17)29-23/h1-2,5-10,15-16,28H,3-4,11-14,27H2
KEGG

UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.60n/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))
BDBM50169467
PNG
(4-{3-[2-(5-Chloro-1H-indol-3-yl)-ethylsulfanyl]-5-...)
Show SMILES NCCCCn1c(SCCc2c[nH]c3ccc(Cl)cc23)nnc1-c1ccc2ccccc2n1
Show InChI InChI=1S/C25H25ClN6S/c26-19-8-10-22-20(15-19)18(16-28-22)11-14-33-25-31-30-24(32(25)13-4-3-12-27)23-9-7-17-5-1-2-6-21(17)29-23/h1-2,5-10,15-16,28H,3-4,11-14,27H2
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Article
PubMed
n/an/an/an/a 52n/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Inhibition of forskolin-induced cAMP accumulation in CHO-K1 cells expressing human sst5 receptor


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 2


(Homo sapiens (Human))
BDBM50169467
PNG
(4-{3-[2-(5-Chloro-1H-indol-3-yl)-ethylsulfanyl]-5-...)
Show SMILES NCCCCn1c(SCCc2c[nH]c3ccc(Cl)cc23)nnc1-c1ccc2ccccc2n1
Show InChI InChI=1S/C25H25ClN6S/c26-19-8-10-22-20(15-19)18(16-28-22)11-14-33-25-31-30-24(32(25)13-4-3-12-27)23-9-7-17-5-1-2-6-21(17)29-23/h1-2,5-10,15-16,28H,3-4,11-14,27H2
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 6.30n/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Inhibition of forskolin-induced cAMP accumulation in CHO-K1 cells expressing human sst2 receptor


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