BindingDB logo
myBDB logout

BDBM50096819 3-{3-[(S)-1-((S)-5-Amino-1-tert-butoxycarbonyl-pentylcarbamoyl)-2-(1H-indol-3-yl)-propylcarbamoyl]-piperidin-1-ylmethyl}-benzoic acid methyl ester::CHEMBL263023

SMILES: COC(=O)c1cccc(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=KFRZKOUCOUFIIC-FTTNAAMISA-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 = 50096819   
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))		BDBM50096819
PNG
(3-{3-[(S)-1-((S)-5-Amino-1-tert-butoxycarbonyl-pen...)
Show SMILES COC(=O)c1cccc(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/C37H51N5O6/c1-24(29-21-39-30-16-7-6-15-28(29)30)32(34(44)40-31(17-8-9-18-38)36(46)48-37(2,3)4)41-33(43)27-14-11-19-42(23-27)22-25-12-10-13-26(20-25)35(45)47-5/h6-7,10,12-13,15-16,20-21,24,27,31-32,39H,8-9,11,14,17-19,22-23,38H2,1-5H3,(H,40,44)(H,41,43)/t24-,27?,31-,32?/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 11n/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