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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 = 'BDBM50468148'   
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))
BDBM50468148
PNG
(CHEMBL4289325)
Show SMILES OC(=O)c1ccc(cc1)N1CC2(CCN(Cc3cc(ccc3C3CC3)C(F)(F)F)CC2)OC1=O
Show InChI InChI=1S/C25H25F3N2O4/c26-25(27,28)19-5-8-21(16-1-2-16)18(13-19)14-29-11-9-24(10-12-29)15-30(23(33)34-24)20-6-3-17(4-7-20)22(31)32/h3-8,13,16H,1-2,9-12,14-15H2,(H,31,32)
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.10n/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))
BDBM50468148
PNG
(CHEMBL4289325)
Show SMILES OC(=O)c1ccc(cc1)N1CC2(CCN(Cc3cc(ccc3C3CC3)C(F)(F)F)CC2)OC1=O
Show InChI InChI=1S/C25H25F3N2O4/c26-25(27,28)19-5-8-21(16-1-2-16)18(13-19)14-29-11-9-24(10-12-29)15-30(23(33)34-24)20-6-3-17(4-7-20)22(31)32/h3-8,13,16H,1-2,9-12,14-15H2,(H,31,32)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.40n/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)
BDBM50468148
PNG
(CHEMBL4289325)
Show SMILES OC(=O)c1ccc(cc1)N1CC2(CCN(Cc3cc(ccc3C3CC3)C(F)(F)F)CC2)OC1=O
Show InChI InChI=1S/C25H25F3N2O4/c26-25(27,28)19-5-8-21(16-1-2-16)18(13-19)14-29-11-9-24(10-12-29)15-30(23(33)34-24)20-6-3-17(4-7-20)22(31)32/h3-8,13,16H,1-2,9-12,14-15H2,(H,31,32)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 43n/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