BindingDB logo
myBDB logout

BDBM50096827 (S)-6-Amino-2-((S)-3-(1H-indol-3-yl)-2-{[1-(3-methoxy-benzyl)-piperidine-3-carbonyl]-amino}-butyrylamino)-hexanoic acid tert-butyl ester::CHEMBL446165

SMILES: COc1cccc(CN2CCCC(C2)C(=O)NC([C@@H](C)c2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)c1

InChI Key: InChIKey=MDGYMVFSBKXGQB-PJFICEEDSA-N

Data: 1 KI

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 1 hit for monomerid = 50096827   
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))		BDBM50096827
PNG
((S)-6-Amino-2-((S)-3-(1H-indol-3-yl)-2-{[1-(3-meth...)
Show SMILES COc1cccc(CN2CCCC(C2)C(=O)NC([C@@H](C)c2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)c1
Show InChI InChI=1S/C36H51N5O5/c1-24(29-21-38-30-16-7-6-15-28(29)30)32(34(43)39-31(17-8-9-18-37)35(44)46-36(2,3)4)40-33(42)26-13-11-19-41(23-26)22-25-12-10-14-27(20-25)45-5/h6-7,10,12,14-16,20-21,24,26,31-32,38H,8-9,11,13,17-19,22-23,37H2,1-5H3,(H,39,43)(H,40,42)/t24-,26?,31-,32?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human somatostatin 2 receptor

Bioorg Med Chem Lett 11: 415-7 (2001)


BindingDB Entry DOI: 10.7270/Q2474949
More data for this
Ligand-Target Pair