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BDBM50454938 CHEMBL2052017::L-363377

SMILES: [H][C@@]12CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CCCCN)NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1ccccc1)NC2=O)[C@@H](C)O

InChI Key: InChIKey=JVHHRGNQHDEURZ-RXYCCRQDSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50454938   
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 2


(Homo sapiens (Human))
BDBM50454938
PNG
(CHEMBL2052017 | L-363377)
Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1c[nH]c3ccccc13)NC(=O)[C@H](CCCCN)NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1ccccc1)NC2=O)[C@@H](C)O
Show InChI InChI=1S/C44H54N8O8/c1-26(53)38-43(59)47-33(14-7-8-20-45)39(55)48-35(24-29-25-46-32-13-6-5-12-31(29)32)40(56)50-36(23-28-16-18-30(54)19-17-28)44(60)52-21-9-15-37(52)42(58)49-34(41(57)51-38)22-27-10-3-2-4-11-27/h2-6,10-13,16-19,25-26,33-38,46,53-54H,7-9,14-15,20-24,45H2,1H3,(H,47,59)(H,48,55)(H,49,58)(H,50,56)(H,51,57)/t26-,33+,34+,35-,36+,37+,38+/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human sst2 receptor expressed in CHO-K1 cells


J Med Chem 41: 2175-9 (1998)


Article DOI: 10.1021/jm980194h
BindingDB Entry DOI: 10.7270/Q2XW4KGS
More data for this
Ligand-Target Pair