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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 = 'BDBM50464462'   
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


(Homo sapiens (Human))		BDBM50464462
PNG
(CHEMBL4283681)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC1C2Nc2ccc(CCNC(=N)CCCC)cc12)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C33H42N4O3/c1-2-3-4-27(34)35-13-11-19-7-9-24-22(15-19)23-17-33(39)26-16-21-8-10-25(38)30-28(21)32(33,31(40-30)29(23)36-24)12-14-37(26)18-20-5-6-20/h7-10,15,20,23,26,29,31,36,38-39H,2-6,11-14,16-18H2,1H3,(H2,34,35)/t23?,26-,29?,31+,32+,33-/m1/s1
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PC cid
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UniChem
Article
PubMed
 5.30n/an/an/an/an/an/an/an/a



University of Science and Technology

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS

Eur J Med Chem 141: 632-647 (2017)


Article DOI: 10.1016/j.ejmech.2017.10.012
BindingDB Entry DOI: 10.7270/Q2V98BQ2
More data for this
Ligand-Target Pair