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BDBM50166018 2-[(R)-1-Amino-2-((S)-4-hydroxy-phenyl)-ethyl]-thiazolidine-4-carboxylic acid [(S)-1-benzyl-2-((S)-2-carbamoyl-pyrrolidin-1-yl)-2-oxo-ethyl]-amide::CHEMBL191742

SMILES: N[C@@H](Cc1ccc(O)cc1)C1N[C@@H](CS1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O

InChI Key: InChIKey=BJUGNOVJAQBUJC-PEYPPHMUSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50166018   
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))		BDBM50166018
PNG
(2-[(R)-1-Amino-2-((S)-4-hydroxy-phenyl)-ethyl]-thi...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C1N[C@@H](CS1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O
Show InChI InChI=1S/C26H33N5O4S/c27-19(13-17-8-10-18(32)11-9-17)25-30-21(15-36-25)24(34)29-20(14-16-5-2-1-3-6-16)26(35)31-12-4-7-22(31)23(28)33/h1-3,5-6,8-11,19-22,25,30,32H,4,7,12-15,27H2,(H2,28,33)(H,29,34)/t19-,20-,21-,22-,25?/m0/s1
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Article
PubMed
 3.10E+3n/an/an/an/an/an/an/an/a



Università degli Studi di Napoli "Federico II"

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to rat whole brain Opioid receptor mu

J Med Chem 48: 3153-63 (2005)


Article DOI: 10.1021/jm040867y
BindingDB Entry DOI: 10.7270/Q2SN08HB
More data for this
Ligand-Target Pair