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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 = 'BDBM50028652'   
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)		BDBM50028652
PNG
((+)-8-Hydroxy-3,6,11-trimethyl-1,2,3,4,5,6-hexahyd...)
Show SMILES CSCC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C1CC2(C)C(C)C(Cc3ccc(O)cc23)N1C)C(N)=O |r,THB:32:31:42.27.28:41.34.35|
Show InChI InChI=1S/C34H46N6O6S/c1-20-27-15-22-10-11-23(41)16-24(22)34(20,2)17-28(40(27)3)33(46)37-18-29(42)36-19-30(43)38-26(14-21-8-6-5-7-9-21)32(45)39-25(31(35)44)12-13-47-4/h5-11,16,20,25-28,41H,12-15,17-19H2,1-4H3,(H2,35,44)(H,36,42)(H,37,46)(H,38,43)(H,39,45)/t20?,25-,26+,27?,28?,34?/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 7.97E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Mu opioid receptor agonist activity as inhibition of electrically stimulated mysenteric plexus in guinea pig ileum

J Med Chem 25: 1423-7 (1983)


BindingDB Entry DOI: 10.7270/Q2NG4R56
More data for this
Ligand-Target Pair