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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Somatostatin receptor type 3' and Ligand = 'BDBM50021067'   
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 3


(Homo sapiens (Human))
BDBM50021067
PNG
(CHEMBL3287617)
Show SMILES COc1ccc(CN[C@H]2CCCC[C@H]2NC(=O)c2ccc(F)cc2)cc1 |r|
Show InChI InChI=1S/C21H25FN2O2/c1-26-18-12-6-15(7-13-18)14-23-19-4-2-3-5-20(19)24-21(25)16-8-10-17(22)11-9-16/h6-13,19-20,23H,2-5,14H2,1H3,(H,24,25)/t19-,20+/m0/s1
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Article
PubMed
21n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]SS14 from human SST3 expressed in CHO membrane after 60 to 90 mins by scintillation counting


ACS Med Chem Lett 5: 690-5 (2014)


Article DOI: 10.1021/ml500079u
BindingDB Entry DOI: 10.7270/Q22N53V4
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50021067
PNG
(CHEMBL3287617)
Show SMILES COc1ccc(CN[C@H]2CCCC[C@H]2NC(=O)c2ccc(F)cc2)cc1 |r|
Show InChI InChI=1S/C21H25FN2O2/c1-26-18-12-6-15(7-13-18)14-23-19-4-2-3-5-20(19)24-21(25)16-8-10-17(22)11-9-16/h6-13,19-20,23H,2-5,14H2,1H3,(H,24,25)/t19-,20+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 13n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human SST3 expressed in CHO-K1 cells assessed as foreskin-stimulated cAMP accumulation after 45 mins by TR-FRET assay


ACS Med Chem Lett 5: 690-5 (2014)


Article DOI: 10.1021/ml500079u
BindingDB Entry DOI: 10.7270/Q22N53V4
More data for this
Ligand-Target Pair