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BDBM50110462 CHEMBL3605790

SMILES: C(NC1(CCCC1)c1nc(c[nH]1)-c1ccc(cc1)-c1ccccc1)c1c[nH]c2ccccc12

InChI Key: InChIKey=WAJZLDRYOPSXBF-UHFFFAOYSA-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 = 50110462   
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))
BDBM50110462
PNG
(CHEMBL3605790)
Show SMILES C(NC1(CCCC1)c1nc(c[nH]1)-c1ccc(cc1)-c1ccccc1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C29H28N4/c1-2-8-21(9-3-1)22-12-14-23(15-13-22)27-20-31-28(33-27)29(16-6-7-17-29)32-19-24-18-30-26-11-5-4-10-25(24)26/h1-5,8-15,18,20,30,32H,6-7,16-17,19H2,(H,31,33)
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KEGG

UniProtKB/SwissProt

DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
31n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]SS-14 from human SSTR3 expressed in CHO cells after 60 to 90 mins


Bioorg Med Chem Lett 25: 3520-5 (2015)


BindingDB Entry DOI: 10.7270/Q29W0H9M
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50110462
PNG
(CHEMBL3605790)
Show SMILES C(NC1(CCCC1)c1nc(c[nH]1)-c1ccc(cc1)-c1ccccc1)c1c[nH]c2ccccc12
Show InChI InChI=1S/C29H28N4/c1-2-8-21(9-3-1)22-12-14-23(15-13-22)27-20-31-28(33-27)29(16-6-7-17-29)32-19-24-18-30-26-11-5-4-10-25(24)26/h1-5,8-15,18,20,30,32H,6-7,16-17,19H2,(H,31,33)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/an/a 280n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human SSTR3 expressed in CHO cells assessed as intracellular cAMP level after 45 mins by time-resolved fluorescence assay


Bioorg Med Chem Lett 25: 3520-5 (2015)


BindingDB Entry DOI: 10.7270/Q29W0H9M
More data for this
Ligand-Target Pair