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BDBM50188167 4-[(2S)-2-amino-3-{[(2S)-1-{[(2S)-1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-3-phenylpropan-2-yl]amino}-3-(4-hydroxyphenyl)propan-2-yl]amino}propyl]phenol::CHEMBL213069

SMILES: NC[C@@H]1CCCN1C[C@H](Cc1ccccc1)NC[C@H](Cc1ccc(O)cc1)NC[C@@H](N)Cc1ccc(O)cc1

InChI Key: InChIKey=NTXYKPCTOOPADC-KRCBVYEFSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50188167   
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


(GUINEA PIG)		BDBM50188167
PNG
(4-[(2S)-2-amino-3-{[(2S)-1-{[(2S)-1-[(2S)-2-(amino...)
Show SMILES NC[C@@H]1CCCN1C[C@H](Cc1ccccc1)NC[C@H](Cc1ccc(O)cc1)NC[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C32H45N5O2/c33-20-30-7-4-16-37(30)23-29(19-24-5-2-1-3-6-24)36-22-28(18-26-10-14-32(39)15-11-26)35-21-27(34)17-25-8-12-31(38)13-9-25/h1-3,5-6,8-15,27-30,35-36,38-39H,4,7,16-23,33-34H2/t27-,28-,29-,30-/m0/s1
UniProtKB/SwissProt

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PC cid
PC sid
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Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Antagonist activity against mu opioid receptor in guinea-pig ileum assay

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