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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with all data for assayid = 6 entry = 50035720   
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)
BDBM50018727
PNG
(2-{2-[2-({2-[2-Amino-3-(4-hydroxy-phenyl)-propiony...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(O)=O
Show InChI InChI=1S/C33H47N5O9/c1-18(2)15-25(30(43)37-28(20(4)40)33(46)47)35-31(44)26(17-21-9-7-6-8-10-21)38(5)32(45)27(19(3)39)36-29(42)24(34)16-22-11-13-23(41)14-12-22/h6-14,18-20,24-28,39-41H,15-17,34H2,1-5H3,(H,35,44)(H,36,42)(H,37,43)(H,46,47)/t19-,20-,24+,25+,26+,27-,28+/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 93n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory potency on electrically evoked contractions of myenteric plexus longitudinal muscle preparation of Guinea pig ileum (GPI) for its atagonis...


J Med Chem 31: 374-83 (1988)


BindingDB Entry DOI: 10.7270/Q21R6R37
More data for this
Ligand-Target Pair