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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 179909   
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))
BDBM179909
PNG
(US9133125, Table D, buprenorphine)
Show SMILES CO[C@@H]1C([C@H]2CC[C@@]11Oc3c4c(C[C@@H]5C2[C@]14CCN5CC1CC1)ccc3O)[C@](C)(O)C(C)(C)C |r|
Show InChI InChI=1S/C29H41NO4/c1-26(2,3)27(4,32)23-18-10-11-29(25(23)33-5)28-12-13-30(15-16-6-7-16)19(22(18)28)14-17-8-9-20(31)24(34-29)21(17)28/h8-9,16,18-19,22-23,25,31-32H,6-7,10-15H2,1-5H3/t18-,19+,22?,23?,25+,27-,28+,29+/m0/s1
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Similars

US Patent
0.410 -53.6 0.450n/an/an/an/a7.525



ALKERMES PHARMA IRELAND LIMITED

US Patent


Assay Description
The Ki (binding affinity) for u opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal o...


US Patent US9133125 (2015)


BindingDB Entry DOI: 10.7270/Q2736PPB
More data for this
Ligand-Target Pair