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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 = 'BDBM50088748'   
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


(Rattus norvegicus (rat))		BDBM50088748
PNG
(CHEMBL13454 | N-Butyl-4-[((1R,3S,5S)-8-methyl-8-az...)
Show SMILES CCCCN(CCC)C(=O)c1ccc(cc1)N([C@H]1C[C@@H]2CC[C@H](C1)N2C)c1ccccc1 |THB:25:24:17.23.18:21.20|
Show InChI InChI=1S/C28H39N3O/c1-4-6-19-30(18-5-2)28(32)22-12-14-24(15-13-22)31(23-10-8-7-9-11-23)27-20-25-16-17-26(21-27)29(25)3/h7-15,25-27H,4-6,16-21H2,1-3H3/t25-,26+,27-
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Similars
PubMed
 1.73E+3n/an/an/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined by inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 from rat brain membranes

Bioorg Med Chem Lett 10: 1109-11 (2000)


BindingDB Entry DOI: 10.7270/Q2X0668B
More data for this
Ligand-Target Pair