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BDBM50188196 4-[(2S)-3-{[(2S)-1-{[(2S)-1-[(2S)-2-({[(2S,3R)-1-{[(2S)-1-amino-3-(4-hydroxyphenyl)propan-2-yl]amino}-3-hydroxybutan-2-yl]amino}methyl)pyrrolidin-1-yl]-3-(4-hydroxyphenyl)propan-2-yl]amino}-3-(4-hydroxyphenyl)propan-2-yl]amino}-2-(ethylamino)propyl]phenol::CHEMBL213768

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

InChI Key: InChIKey=DHAOTMXALHXMQL-HILZTOJASA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50188196   
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))		BDBM50188196
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)Cc1ccc(O)cc1)[C@@H](C)O)Cc1ccc(O)cc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1
Show InChI InChI=1S/C47H69N7O5/c1-3-49-39(24-35-8-16-44(57)17-9-35)28-50-40(25-36-10-18-45(58)19-11-36)29-51-41(26-37-12-20-46(59)21-13-37)32-54-22-4-5-42(54)30-53-47(33(2)55)31-52-38(27-48)23-34-6-14-43(56)15-7-34/h6-21,33,38-42,47,49-53,55-59H,3-5,22-32,48H2,1-2H3/t33-,38+,39+,40+,41+,42+,47+/m1/s1
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Article
PubMed
n/an/a 61n/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