Table 9: Ligands with potent affinity for ; ligands bound with values <20 nM at this subtype. The structures of these ligands are in the Ph.D. thesis of Clayton (2011) [22].

Cook code

JYI-570.0760.0760.131ND0.036ND
YT-II-7695.342.7970.056ND0.04ND
QH-II-0850.080.060.02ND0.08ND
YT-III-252.5315.7865.691ND0.095ND
SH-I-048A0.7740.17230.383ND0.11ND
QH-II-0770.060.080.05ND0.124
DM-2391.5ND0.53ND0.146.89
QH-II-0920.070.030.04ND0.17ND
TG-4-292.83.92.72.10.183.9
SH-I-751487989.9773ND0.1825ND
PWZ-007A0.110.10.09ND0.210
XHE-II-0240.090.180.32140.2411
SH-I-08511.084.86613.75ND0.24ND
MMB-II-9020245.790.2536
QH-II-090 (CGS-8216)0.050.080.12ND0.2517
JYI-420.2570.1460.278ND0.256ND
MMB-III-01631.97210740.26211
MMB-III-1631.97210740.26211
Ro15-45133.32.62.5ND0.263.8
DM-2156.74ND7.42ND0.2938.28
XLI-31760.2424.054.562ND0.295ND
RY-06117136.7ND0.331
ZG-2347.2522.149.84ND0.35.25
PZII-0280.2ND0.2ND0.321.9
RY-067211210ND0.3742
DM-II-90 (C17H12N4BrCl)0.50510.63ND0.375000
ZG-2089.711.210.9ND0.384.6
XHE-III-041.221.12190.4500
TG-4-298.310.26.9ND0.47.61
RY-024 C19H19N3O326.926.318.7ND0.45.1
JYI-472.7592.2820.511ND0.427ND
PWZ-00710.230.170.12ND0.4417.31
CM-E09b202219550.4569
ZG-16811.210.79.2ND0.479.4
RY-080 C17H15N3O328.421.425.85.30.4928.8
BRETAZENIL0.350.640.2ND0.512.7
CM-E102326142150.5196
JYI-04 (C21H23N3O3)28.316NDND0.511.57
PZII-0290.34ND0.79ND0.5210
PWZ-0854.86138.5ND0.5540
JYI-70 (C19H13N4F)6.32.1NDND0.565000
CM-D4434.356.320.70.330.570.92
SVO-8-301.15.35.32.80.615
Ro15-17880.80.91.05ND0.6148
XLi268 C17H13BrN42.81450.6862NDND0.6243ND
ZG-63A17.321.629.1ND0.654
SH-053-2′F 21.9912.3434.9ND0.671ND
XLI-2860.0510.0640.118ND0.684ND
SH-I-S6622.9330.3655.26ND0.69ND
RY-076262713ND0.722
DM-17313.1ND38.1ND0.78118
OMB-183.91.23.417330.85
HJ-I-03715.078.12728.29ND0.818ND
PWZ-009A11.341.311.26ND0.842.03
ZG69A6.816.39.2ND0.8554.6
ZG-69a (Ro15-1310)6.816.39.2ND0.8554.6
JYI-64 (C17H12N4FBr)0.3051.1110.62ND0.875000
SVO-8-1482586.90.914
JYI-03 (C21H21N3O3)185.4107NDND0.9543.34
TG-II-821.62.92.8ND11000
RY-053492915ND146
YT-615.3187.860.49ND1.039ND
DMCM5.698.294ND1.04134
PWZ-09611.13616.9ND1.0751.5
MMB-III-1413136.93331.1333
YT-III-2319.8323.6519.87ND1.105ND
RY-0083.757.24.14ND1.1144.3
XLI-2TC3.4421.67344.08ND1.121ND
XHE-II-073A (R ENRICHED)5.91110151.18140
QH-II-0750.180.210.25ND1.340
RY-054594427ND1.3126
TG-4-391.634245.61.423
XHE-II-0028.318133.91.511
RY-031 (RY-10)20.42726.1ND1.5176
FG82050.42.081.16ND1.54227
alprazolam0.80.591.43ND1.541000
XHE-III-137.3 ND7.18801.6311
CM-D45 C19H21N3O490.565.530.30.151.650.23
RY-09810.122.216.5ND1.68100
YT-50.4210.603436.06ND1.695ND
JYI-60 (C17H11N2OF)3.731.6354.3ND1.75000
RY-03314.85625.3ND1.7222.9
XHE-III-06a12151.837
SH-I-03014.4211.0419.09ND1.89ND
XLi352 C18H13ClN2O1.560.991NDND1.957ND
XLi351 C21H21ClN2OSi1.5070.967NDND1.985ND
XHE-III-142.6ND101327
DM-II-72 (C15H10N20BrCl)50001.37NDND2.025000
XHE-II-073B (S-ENRICHED)111712332.1269
FLUNITRAZEPAM2.22.54.5ND2.12000
XHE-III-7477105380.422.25.8
SVO-8-6774126152.3191
6-PBC0.491.212.2ND2.391343
RY-058864085ND2.4150
ZG-22417.133.750ND2.531.7
RY-066836048ND2.6180
RY-023 C22H27N3O3Si197142.62557.82.6158.6
XLi350 C17H11ClN2O1.2241.188NDND2.9ND
JYI-32 (C20H15N3O2BrF)3.074.96NDND2.9252.24
SH-I-89S12.788.5628.145ND3.23ND
MSR-I-0326.218.74ND3.374.9
OMB-19224.62033333.540
ZG-21312.849.830.2ND3.522.5
YT-II-8332.7413.2224.1ND3.548ND
RY-059897091ND3.7301
SPH-1210.141.191.72ND4479
RY-04720012479ND4340
XLI-8TC21.5211.012.155ND4.059ND
YT-I-38945.9326.8245.9ND4.07ND
DM-1466.44ND148 ND4.23247
CM-B44 (ss)3243123794.3485
CM-B4732633420074.4717
XLi-JY-DMH ANX33.30.581.9ND4.45000
WY-B-150.920.830.5820804.42646
ZK 934234.14.26ND4.51000
JYI-12 (C19H16N3O3F3)9139NDND4.56.8
CM-A871.624.5414.7310004.611000
DM-III-01 (C18H12N3O2Br)500012NDND4.735000
RY-057738597ND4.8333
JYI-15 (C19H14N3O3F3)205812NDND4.822
CM-B31i (ss)9018478184.9121
RY-079121.1141.9198.41595113.7
JC208 C15H10N2OS22.4218.89NDND5.039ND
YT-II6.9320.87123.518ND5.119ND
XLi270 C19H14N436.3925.81NDND5.291ND
XHE-I-051353942 ND5.3979
MMB-II-872003331071095.4333
XLI-2102316612666ND5.454.22
XHE-II-O53-ACID50.3511.844ND5.95000
ABECARNIL12.415.37.5ND61000
RY-I-31104519ND61000
QH-II-0821.71.81.6ND6.1100
SH-TSC-1 (PWZ-029)362.4180.3328.2ND6.185ND
XHE-II-0651000409216376.4175
JYI-49 (C20H12N3O2F4Br)1.872.38NDND6.73390
JC184 C13H9BrN2OS9.60610.5NDND6.709ND
QH-II-06676.342.147.420006.83000
XLI-381619.9285.63639ND7.051ND
RY-071195691ND7.2266
RY-I-28283318102ND7.261
CM-A82a2.788.9324.5110007.491000
YT-III-3136.3967.85129.7ND7.59ND
SH-I-047.36.1365.1ND7.664ND
QH-1460.49ND0.76ND7.71000
QH-II-0639.49.331ND7.73000
JC221 ANX1106.17549.405182ND7.7495362
DM-II-30 (C20H13N3O2BrF3)17.613.428.51ND7.85000
SH-TS-CH3107.250.0920.95ND8.068ND
RY-07315688122ND8.5267
SVO-8-20114028198.6138
SHU-221-1664143300093000
YT-III-23151.0961.4626.34ND9.124ND
CM-E09a1761921224909.2718
DM-1395.8ND169ND9.25325
YT-III-42382.916.8344.04ND9.77ND
CD-21416.448.242.5ND9.8168
XHE-III-240.25ND822210328
XLi223 C22H20BrN3O2148.7181000102000
SPH-1650.632.794.85ND10.41150
JYI-01 (C19H20N3O3Br)59.215996ND10.62.88
diazepam142015ND11ND
XHE-III-491.35.54.238.711.385.1
WZ-11319.213.213.4ND11.5300
JYI-59 (C22H13N3O2F4)1.082.611.82ND11.55000
JYI-72 (C22H21N4SiF)48.518.5NDND11.55000
TC-YT-II-76101.11.8975.816ND11.99ND
JYI-10 (C17H13N3O3F3Br)5000368NDND12.323
WZ-0694030.538.5ND12.61000
JYI-06 (C23H23N3O4)16.55.485000ND12.65000
RY-072220150184ND12.7361
JYI-14 (C17H14N3O3F3)3225NDND13565
XHE-II-0532874596150413.81000
Xli-347 C34H28N6O7828.05690.2NDND13.87ND
SHU-1-194127481484
CM-C28 (SR)17675224429014141
CM-E1133330816139414750
XHE-II-0124924311042142038
MMB-III-01811714078350014976
MMB-III-1811714078350014976
CM-B31c (ss)1183191733715137
CM-B4523055733626515230
XLI-093100010008581550152000
DM-II-20 (C22H14N3O2F3)54.327.1435.68ND15.355000
XLi269 C22H22N4Si221.8154.2NDND15.51ND
SH-O53-S-CH3-2′F3501411237ND165000
JYI-13 (C21H16N3O4F3)500063.7NDND168.38
CM-B3447245122311417175
XHE-II-0173.310725817294
JC222 C16H12N2OS86.745.11NDND17.63ND
SPH-3825.410.8ND18.53000
WZ-07072.730.753.2ND18.6300
RY-069692622506ND191000
SH-053-2′F-S-CH3468.233.27291.5ND19.2ND
XHE-I-09327.18.91107201162

Affinity of compounds at /BzR recombinant subtypes was measured by competition for [3H]flunitrazepam or [3H] Ro15-4513 binding to HEK cell membranes expressing human receptors of compositions α1β3γ2, α2β3γ2, α3β3γ2, α4β3γ2, α5β3γ2, and α6β3γ2 [22, 139]. Data represent the average of at least three determinations with a SEM of ±5%. ND: not determined.