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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 = 'BDBM50021059'   
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))
BDBM50021059
PNG
(CHEMBL3287648)
Show SMILES Fc1ccc(NC(=O)O[C@@H]2CCCC[C@@H]2NCc2ccc(Cl)c(Cl)c2)cc1 |r|
Show InChI InChI=1S/C20H21Cl2FN2O2/c21-16-10-5-13(11-17(16)22)12-24-18-3-1-2-4-19(18)27-20(26)25-15-8-6-14(23)7-9-15/h5-11,18-19,24H,1-4,12H2,(H,25,26)/t18-,19+/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
245n/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))
BDBM50021059
PNG
(CHEMBL3287648)
Show SMILES Fc1ccc(NC(=O)O[C@@H]2CCCC[C@@H]2NCc2ccc(Cl)c(Cl)c2)cc1 |r|
Show InChI InChI=1S/C20H21Cl2FN2O2/c21-16-10-5-13(11-17(16)22)12-24-18-3-1-2-4-19(18)27-20(26)25-15-8-6-14(23)7-9-15/h5-11,18-19,24H,1-4,12H2,(H,25,26)/t18-,19+/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 2.84E+4n/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