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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 = 'BDBM50123664'   
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))		BDBM50123664
PNG
(3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...)
Show SMILES CCCN(C(=O)c1cccc(c1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(O)c1)c1ccccc1
Show InChI InChI=1S/C32H39N3O2/c1-5-18-33-22-25(4)35(23-24(33)3)31(27-13-11-17-30(36)21-27)26-12-10-14-28(20-26)32(37)34(19-6-2)29-15-8-7-9-16-29/h5,7-17,20-21,24-25,31,36H,1,6,18-19,22-23H2,2-4H3/t24-,25+,31-/m1/s1
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Article
PubMed
 1.82n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Binding affinity of compound evaluated for Opioid receptor mu 1 isolated from rat brain

J Med Chem 46: 623-33 (2003)


Article DOI: 10.1021/jm020395s
BindingDB Entry DOI: 10.7270/Q2DZ0915
More data for this
Ligand-Target Pair