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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 = 'BDBM471982'   
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))
BDBM471982
PNG
(CIS-2-[[1-(Cyclobutyl-methyl)-8-dimethylamino-2-ox...)
Show SMILES CN(C)[C@]1(CC[C@]2(CN(Cc3ccccc3C(N)=O)C(=O)N2CC2CCC2)CC1)c1ccccc1 |r,wU:6.22,3.2,(13.3,8.59,;13.7,7.1,;15.19,6.7,;12.61,6.01,;11.84,4.68,;10.3,4.68,;9.53,6.01,;8.63,7.26,;7.16,6.78,;5.83,7.55,;4.5,6.78,;4.5,5.24,;3.16,4.47,;1.83,5.24,;1.83,6.78,;3.16,7.55,;3.16,9.09,;4.5,9.86,;1.83,9.86,;7.16,5.24,;5.83,4.47,;8.63,4.76,;9.03,3.28,;7.94,2.19,;6.4,2.19,;6.4,.65,;7.94,.65,;10.3,7.34,;11.84,7.34,;13.7,4.92,;13.7,3.38,;15.03,2.61,;16.37,3.38,;16.37,4.92,;15.04,5.69,)|
Show InChI InChI=1S/C29H38N4O2/c1-31(2)29(24-12-4-3-5-13-24)17-15-28(16-18-29)21-32(27(35)33(28)19-22-9-8-10-22)20-23-11-6-7-14-25(23)26(30)34/h3-7,11-14,22H,8-10,15-21H2,1-2H3,(H2,30,34)/t28-,29+
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
0.800n/an/an/an/an/an/an/an/a



GRUENENTHAL GMBH

US Patent


Assay Description
Mu-Opioid Peptide (hMOP): The hMOP receptor binding assay was performed as homogeneous SPA-assay (scintillation proximity assay) using the assay buff...


US Patent US10829480 (2020)


BindingDB Entry DOI: 10.7270/Q2SB48SB
More data for this
Ligand-Target Pair