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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Opioid receptors; mu/kappa/delta' and Ligand = 'BDBM50013629'   
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
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50013629
PNG
(CHEMBL4062124)
Show SMILES Fc1ccc(cc1)C(=O)NCC1NCCc2ccccc12
Show InChI InChI=1S/C40H54N8O6/c1-4-26(2)34-40(54)48-25-42-20-18-32(48)38(52)47-24-41-19-17-31(47)37(51)45(3)33(23-28-14-9-6-10-15-28)39(53)46-21-11-16-30(46)36(50)43-29(35(49)44-34)22-27-12-7-5-8-13-27/h5-10,12-15,26,29-34,41-42H,4,11,16-25H2,1-3H3,(H,43,50)(H,44,49)/t26-,29+,30-,31-,32+,33+,34-/m0/s1
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n/an/a 1.86E+4n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL




Eur J Med Chem 126: 202-217 (2017)


BindingDB Entry DOI: 10.7270/Q2RB76TS
More data for this
Ligand-Target Pair