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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 = 'BDBM50049381'   
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)
BDBM50049381
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(CCCC1)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/C34H52N8O10/c1-17(2)26(31(50)37-16-24(36)44)41-32(51)27(18(3)4)40-30(49)23(15-25(45)46)39-33(52)34(12-6-7-13-34)42-28(47)19(5)38-29(48)22(35)14-20-8-10-21(43)11-9-20/h8-11,17-19,22-23,26-27,43H,6-7,12-16,35H2,1-5H3,(H2,36,44)(H,37,50)(H,38,48)(H,39,52)(H,40,49)(H,41,51)(H,42,47)(H,45,46)/t19-,22-,23-,26-,27-/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