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BDBM50188195 4-[(2S)-3-{[(2S)-1-{[(2S)-1-[(2S)-2-({[(2S,3R)-1-{[(2S)-1-amino-4-(methylsulfanyl)butan-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::CHEMBL215358

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

InChI Key: InChIKey=GYMQTZPAIYUFAC-QRLIXRFXSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50188195   
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))		BDBM50188195
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)CCSC)[C@@H](C)O)Cc1ccccc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1
Show InChI InChI=1S/C43H69N7O3S/c1-4-45-37(23-34-12-16-41(52)17-13-34)27-46-38(24-35-14-18-42(53)19-15-35)28-47-39(25-33-9-6-5-7-10-33)31-50-21-8-11-40(50)29-49-43(32(2)51)30-48-36(26-44)20-22-54-3/h5-7,9-10,12-19,32,36-40,43,45-49,51-53H,4,8,11,20-31,44H2,1-3H3/t32-,36+,37+,38+,39+,40+,43+/m1/s1
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Similars
Article
PubMed
n/an/a 14n/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