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BDBM50188186 4-[(2S)-3-{[(2S)-1-{[(2S)-1-[(2S)-2-({[(2S,3R)-1-{[(2S)-1-amino-3-phenylpropan-2-yl]amino}-3-hydroxybutan-2-yl]amino}methyl)pyrrolidin-1-yl]-3-phenylpropan-2-yl]amino}-3-(4-hydroxyphenyl)propan-2-yl]amino}-2-(ethylamino)propyl]phenol::CHEMBL264837

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

InChI Key: InChIKey=QBKJAFAYDWTYKU-QOWZYKSGSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50188186   
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))		BDBM50188186
PNG
(4-[(2S)-3-{[(2S)-1-{[(2S)-1-[(2S)-2-({[(2S,3R)-1-{...)
Show SMILES CCN[C@H](CN[C@H](CN[C@H](CN1CCC[C@H]1CN[C@@H](CN[C@H](CN)Cc1ccccc1)[C@@H](C)O)Cc1ccccc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1
Show InChI InChI=1S/C47H69N7O3/c1-3-49-41(26-38-16-20-45(56)21-17-38)30-50-42(27-39-18-22-46(57)23-19-39)31-51-43(28-37-13-8-5-9-14-37)34-54-24-10-15-44(54)32-53-47(35(2)55)33-52-40(29-48)25-36-11-6-4-7-12-36/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
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Article
PubMed
n/an/a 19n/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