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BDBM50188158 (4S,7S,10S,13S,16S,17R)-16-({[(2S)-1-amino-3-(4-hydroxyphenyl)propan-2-yl]amino}methyl)-10,13-dibenzyl-4,7-bis[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaazaoctadecan-17-ol::CHEMBL375136

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

InChI Key: InChIKey=KXAYNAAYIPLSQX-WRXFOYDJSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50188158   
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))		BDBM50188158
PNG
((4S,7S,10S,13S,16S,17R)-16-({[(2S)-1-amino-3-(4-hy...)
Show SMILES CCN[C@H](CN[C@H](CN[C@H](CN[C@H](CN[C@@H](CN[C@H](CN)Cc1ccc(O)cc1)[C@@H](C)O)Cc1ccccc1)Cc1ccccc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1
Show InChI InChI=1S/C51H71N7O4/c1-3-53-44(29-41-16-22-49(61)23-17-41)32-54-46(30-42-18-24-50(62)25-19-42)34-55-45(27-38-10-6-4-7-11-38)33-56-47(28-39-12-8-5-9-13-39)35-58-51(37(2)59)36-57-43(31-52)26-40-14-20-48(60)21-15-40/h4-25,37,43-47,51,53-62H,3,26-36,52H2,1-2H3/t37-,43+,44+,45+,46+,47+,51+/m1/s1
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Similars
Article
PubMed
n/an/a 78n/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