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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50049375'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mu-type opioid receptor


(GUINEA PIG)
BDBM50049375
PNG
((S)-3-[(1-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)C1(CC1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C32H48N8O10/c1-15(2)24(29(48)35-14-22(34)42)39-30(49)25(16(3)4)38-28(47)21(13-23(43)44)37-31(50)32(10-11-32)40-26(45)17(5)36-27(46)20(33)12-18-6-8-19(41)9-7-18/h6-9,15-17,20-21,24-25,41H,10-14,33H2,1-5H3,(H2,34,42)(H,35,48)(H,36,46)(H,37,50)(H,38,47)(H,39,49)(H,40,45)(H,43,44)/t17-,20-,21-,24-,25-/m0/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity towards Opioid receptor mu 1 of guinea pig ileum (GPI)


J Med Chem 39: 773-80 (1996)


Article DOI: 10.1021/jm950490j
BindingDB Entry DOI: 10.7270/Q2QV3KKJ
More data for this
Ligand-Target Pair