BindingDB logo
myBDB logout

BDBM50188148 (4S,7S,10S,13S,16S,17R)-16-{[(2S)-2-(aminomethyl)pyrrolidin-1-yl]methyl}-10,13-dibenzyl-4,7-bis[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaazaoctadecan-17-ol::CHEMBL213366

SMILES: CCN[C@H](CN[C@H](CN[C@H](CN[C@H](CN[C@@H](CN1CCC[C@H]1CN)[C@@H](C)O)Cc1ccccc1)Cc1ccccc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1

InChI Key: InChIKey=AAWZZJKNYPHEQF-QOWZYKSGSA-N

Data: 1 IC50

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 = 50188148   
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
Mu-type opioid receptor


(Rattus norvegicus (rat))		BDBM50188148
PNG
((4S,7S,10S,13S,16S,17R)-16-{[(2S)-2-(aminomethyl)p...)
Show SMILES CCN[C@H](CN[C@H](CN[C@H](CN[C@H](CN[C@@H](CN1CCC[C@H]1CN)[C@@H](C)O)Cc1ccccc1)Cc1ccccc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1
Show InChI InChI=1S/C47H69N7O3/c1-3-49-40(27-38-16-20-45(56)21-17-38)30-50-42(28-39-18-22-46(57)23-19-39)32-51-41(25-36-11-6-4-7-12-36)31-52-43(26-37-13-8-5-9-14-37)33-53-47(35(2)55)34-54-24-10-15-44(54)29-48/h4-9,11-14,16-23,35,40-44,47,49-53,55-57H,3,10,15,24-34,48H2,1-2H3/t35-,40+,41+,42+,43+,44+,47+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 82n/an/an/an/an/an/a



Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain homogenate

Bioorg Med Chem Lett 16: 4331-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.053
BindingDB Entry DOI: 10.7270/Q2028R47
More data for this
Ligand-Target Pair