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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Somatostatin receptor type 5' and Ligand = 'BDBM50468138'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50468138
PNG
(CHEMBL4292738)
Show SMILES CC1(C)CCc2cccc(CN3CCC4(CN(C(=O)O4)c4ccc(cc4)C(O)=O)CC3)c2O1
Show InChI InChI=1S/C26H30N2O5/c1-25(2)11-10-18-4-3-5-20(22(18)32-25)16-27-14-12-26(13-15-27)17-28(24(31)33-26)21-8-6-19(7-9-21)23(29)30/h3-9H,10-17H2,1-2H3,(H,29,30)
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.90n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [3-125I-Tyr11]-SRIF-14 or [3-125I-Tyr11]-SRIF-28 from human SSR5 expressed in CHOK1 cell membranes


ACS Med Chem Lett 9: 1088-1093 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00306
BindingDB Entry DOI: 10.7270/Q2V127H3
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50468138
PNG
(CHEMBL4292738)
Show SMILES CC1(C)CCc2cccc(CN3CCC4(CN(C(=O)O4)c4ccc(cc4)C(O)=O)CC3)c2O1
Show InChI InChI=1S/C26H30N2O5/c1-25(2)11-10-18-4-3-5-20(22(18)32-25)16-27-14-12-26(13-15-27)17-28(24(31)33-26)21-8-6-19(7-9-21)23(29)30/h3-9H,10-17H2,1-2H3,(H,29,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.40n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human SSR5 expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP accumulation preincubated for 15 mins fol...


ACS Med Chem Lett 9: 1088-1093 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00306
BindingDB Entry DOI: 10.7270/Q2V127H3
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Mus musculus)
BDBM50468138
PNG
(CHEMBL4292738)
Show SMILES CC1(C)CCc2cccc(CN3CCC4(CN(C(=O)O4)c4ccc(cc4)C(O)=O)CC3)c2O1
Show InChI InChI=1S/C26H30N2O5/c1-25(2)11-10-18-4-3-5-20(22(18)32-25)16-27-14-12-26(13-15-27)17-28(24(31)33-26)21-8-6-19(7-9-21)23(29)30/h3-9H,10-17H2,1-2H3,(H,29,30)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 399n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at mouse SSR5 expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP accumulation preincubated for 15 mins fol...


ACS Med Chem Lett 9: 1088-1093 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00306
BindingDB Entry DOI: 10.7270/Q2V127H3
More data for this
Ligand-Target Pair