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BDBM50188213 (4S,7S,10S,13S,16S,17R)-16-({[(2S)-1-amino-3-(4-hydroxyphenyl)propan-2-yl]amino}methyl)-13-benzyl-4,7,10-tris[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaazaoctadecan-17-ol::CHEMBL415578

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)Cc1ccc(O)cc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1

InChI Key: InChIKey=KUXLZZVYRXKSFX-UQYOJGITSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50188213   
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))		BDBM50188213
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)Cc1ccc(O)cc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1
Show InChI InChI=1S/C51H71N7O5/c1-3-53-43(27-39-11-19-48(61)20-12-39)31-54-44(28-40-13-21-49(62)22-14-40)32-55-45(29-41-15-23-50(63)24-16-41)33-56-46(26-37-7-5-4-6-8-37)34-58-51(36(2)59)35-57-42(30-52)25-38-9-17-47(60)18-10-38/h4-24,36,42-46,51,53-63H,3,25-35,52H2,1-2H3/t36-,42+,43+,44+,45+,46+,51+/m1/s1
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Article
PubMed
n/an/a 200n/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