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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 = 'BDBM327434'   
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))
BDBM327434
PNG
(N-(3-{(1R,5S,6r)-6-ethyl-3-[(2-methoxy-2,3-dihydro...)
Show SMILES CCC1([C@H]2CN(CC3(Cc4ccccc4C3)OC)C[C@@H]12)c1cc(F)cc(NS(=O)(=O)C2CC2)c1
Show InChI InChI=1S/C27H33FN2O3S/c1-3-27(20-10-21(28)12-22(11-20)29-34(31,32)23-8-9-23)24-15-30(16-25(24)27)17-26(33-2)13-18-6-4-5-7-19(18)14-26/h4-7,10-12,23-25,29H,3,8-9,13-17H2,1-2H3/t24-,25+,27?
PDB

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US Patent
n/an/a 12n/an/an/an/an/an/a



SANWA KAGAKU KENKYUSHO CO., LTD.; UBE INDUSTRIES, LTD.

US Patent


Assay Description
The inhibition ratio of the test substance at the respective concentrations were calculated with setting the reaction value of the well to which DMSO...


US Patent US9663463 (2017)


BindingDB Entry DOI: 10.7270/Q27946RR
More data for this
Ligand-Target Pair