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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor [N127C]' and Ligand = 'BDBM50518036'   
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 [N127C]


(Homo sapiens (Human))
BDBM50518036
PNG
(CHEMBL4467777 | US11484525, Compound BD-122LS-PZM2...)
Show SMILES C[C@@H](Cc1ccsc1)NC(=O)NC[C@H](Cc1ccc(O)cc1)N(C)C |r|
Show InChI InChI=1S/C19H27N3O2S/c1-14(10-16-8-9-25-13-16)21-19(24)20-12-17(22(2)3)11-15-4-6-18(23)7-5-15/h4-9,13-14,17,23H,10-12H2,1-3H3,(H2,20,21,24)/t14-,17-/m0/s1
PDB

UniProtKB/SwissProt

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MCE
PC cid
PC sid
PDB
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PDB
US Patent
37n/an/an/an/an/an/an/an/a


TBA

Assay Description
Each compound was initially tested at 20 μM and was incubated with 3H-DPN at a concentration equal to the Kd (0.4 nM) of the radioligand in _...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2JQ14V2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)