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BDBM50039180 CHEMBL308501::{2-Benzyl-3-[(3R,4R)-4-(3-hydroxy-phenyl)-3,4-dimethyl-piperidin-1-yl]-propionylamino}-acetic acid

SMILES: C[C@H]1CN(CC(Cc2ccccc2)C(=O)NCC(O)=O)CC[C@@]1(C)c1cccc(O)c1

InChI Key: InChIKey=UPNUIXSCZBYVBB-COAOWADVSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50039180   
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))		BDBM50039180
PNG
(CHEMBL308501 | {2-Benzyl-3-[(3R,4R)-4-(3-hydroxy-p...)
Show SMILES C[C@H]1CN(CC(Cc2ccccc2)C(=O)NCC(O)=O)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C25H32N2O4/c1-18-16-27(12-11-25(18,2)21-9-6-10-22(28)14-21)17-20(24(31)26-15-23(29)30)13-19-7-4-3-5-8-19/h3-10,14,18,20,28H,11-13,15-17H2,1-2H3,(H,26,31)(H,29,30)/t18-,20?,25+/m0/s1
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 0.890n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Tested for binding affinity towards mu receptor in presence of [3H]-NAL radioligand

J Med Chem 37: 2262-5 (1994)


BindingDB Entry DOI: 10.7270/Q2XP73ZB
More data for this
Ligand-Target Pair