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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 = 'BDBM50123662'   
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))		BDBM50123662
PNG
(3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...)
Show SMILES C[C@@H]1CN([C@@H](c2cccc(O)c2)c2cccc(c2)C(=O)N(C)CCc2ccccc2)[C@@H](C)CN1CC=C
Show InChI InChI=1S/C32H39N3O2/c1-5-18-34-22-25(3)35(23-24(34)2)31(28-14-10-16-30(36)21-28)27-13-9-15-29(20-27)32(37)33(4)19-17-26-11-7-6-8-12-26/h5-16,20-21,24-25,31,36H,1,17-19,22-23H2,2-4H3/t24-,25+,31-/m1/s1
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Article
PubMed
 2.19n/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