BindingDB logo
myBDB logout

BDBM50021091 CHEMBL3287635

SMILES: Fc1ccc(cc1F)C(=O)N[C@@H]1CCC[C@H]1NCc1c[nH]c2ccccc12

InChI Key: InChIKey=GCOWIJVNLKUCDS-WOJBJXKFSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50021091   
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 3


(Homo sapiens (Human))
BDBM50021091
PNG
(CHEMBL3287635)
Show SMILES Fc1ccc(cc1F)C(=O)N[C@@H]1CCC[C@H]1NCc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C21H21F2N3O/c22-16-9-8-13(10-17(16)23)21(27)26-20-7-3-6-19(20)25-12-14-11-24-18-5-2-1-4-15(14)18/h1-2,4-5,8-11,19-20,24-25H,3,6-7,12H2,(H,26,27)/t19-,20-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
30n/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))
BDBM50021091
PNG
(CHEMBL3287635)
Show SMILES Fc1ccc(cc1F)C(=O)N[C@@H]1CCC[C@H]1NCc1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C21H21F2N3O/c22-16-9-8-13(10-17(16)23)21(27)26-20-7-3-6-19(20)25-12-14-11-24-18-5-2-1-4-15(14)18/h1-2,4-5,8-11,19-20,24-25H,3,6-7,12H2,(H,26,27)/t19-,20-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 133n/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