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BDBM50188181 (4S,7S,10S,13S,16S,17R)-16-({[(2S)-1-amino-4-(methylsulfanyl)butan-2-yl]amino}methyl)-10,13-dibenzyl-4,7-bis[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaazaoctadecan-17-ol::CHEMBL409178

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

InChI Key: InChIKey=HQLJMWCITNIMGN-QOWZYKSGSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50188181   
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))		BDBM50188181
PNG
((4S,7S,10S,13S,16S,17R)-16-({[(2S)-1-amino-4-(meth...)
Show SMILES CCN[C@H](CN[C@H](CN[C@H](CN[C@H](CN[C@@H](CN[C@H](CN)CCSC)[C@@H](C)O)Cc1ccccc1)Cc1ccccc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1
Show InChI InChI=1S/C47H71N7O3S/c1-4-49-41(27-38-15-19-45(56)20-16-38)30-50-43(28-39-17-21-46(57)22-18-39)32-51-42(25-36-11-7-5-8-12-36)31-52-44(26-37-13-9-6-10-14-37)33-54-47(35(2)55)34-53-40(29-48)23-24-58-3/h5-22,35,40-44,47,49-57H,4,23-34,48H2,1-3H3/t35-,40+,41+,42+,43+,44+,47+/m1/s1
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Article
PubMed
n/an/a 115n/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