| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L065529
LIG000099
|
14u
CC(=O)Nc1cccc(SCC2CCC(=O)NC2=O)c1
|
C14H16N2O3S 292.360000 |
BGHAVCLWQUSZNI-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM50625139; MolGlueDB:MGDB70
|
Local ready
Direct docking supported
|
|
E3L065530
LIG000100
|
11
O=C1CCC(N2Cc3cc(CNC(=O)Nc4cccc(Cl)c4)ccc3C2=O)C(=O)N1
|
C21H19ClN4O4 426.860000 |
BGUQNEVRTLOSJR-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1189
|
Local ready
Direct docking supported
|
|
E3L065531
LIG000101
|
15
N#Cc1ccc(NC(=O)NCc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)cc1
|
C22H19N5O4 417.425000 |
BHBMWIGRSYWSDH-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB769
|
Local ready
Direct docking supported
|
|
E3L065532
LIG000102
|
53
O=C1CCC(N2Cc3cc(NC(=O)c4cccc(C(=O)c5ccccc5)c4)ccc3C2=O)C(=O)N1
|
C27H21N3O5 467.481000 |
BHLNTYNHSHZTQT-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1191
|
Local ready
Direct docking supported
|
|
E3L065533
LIG000103
|
22d
CC(C)CNC(=O)NCc1ccc2nnn(C3CCC(=O)NC3=O)c(=O)c2c1
|
C18H22N6O4 386.412000 |
BHSGCTTUTIBRHV-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB159
|
Local ready
Direct docking supported
|
|
E3L065534
LIG000104
|
24b
O=C1CCC(N2Cc3cccc(C4=C[C@@]4(COOCC(Cl)(Cl)Cl)c4ccc(Br)cc4)c3C2=O)C(=O)N1
|
C25H20BrCl3N2O5 614.707000 |
BHYRVUOCKMMHBK-JKSFWZLDSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1119
|
Local ready
Direct docking supported
|
|
E3L065535
LIG000105
|
Z5112136956
Cn1nc(C2CCC(=O)NC2=O)c2ccc(NC(=O)NC3(CNC(=O)OC(C)(C)C)CCCC3)cc21
|
C25H34N6O5 498.584000 |
BIELZJYUUXCBRW-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB584
|
Local ready
Direct docking supported
|
|
E3L065536
LIG000106
|
Flavopiridol
CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)C(O)C1
|
C21H20ClNO5 401.846000 |
BIIVYFLTOXDAOV-WHUIICBVSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1628
Related BindingDB:BDBM5655
|
Local ready
Direct docking supported
|
|
E3L065538
LIG000108
|
LC-02-104
O=C1CC[C@H](N2Cc3cc(-c4cnn5ccc(Nc6ccc7c(c6)OCO7)nc45)ccc3C2=O)C(=O)N1
|
C26H20N6O5 496.483000 |
BIRKQAVFJFRNPQ-IBGZPJMESA-N | - | - |
MolGlueDB
MolGlueDB:MGDB918
|
Local ready
Direct docking supported
|
|
E3L065539
LIG000109
|
DS07
CC[C@H](CO)Nc1nc(NCc2ccc(CN(C)C)cc2)c2ncn(C(C)C)c2n1
|
C22H33N7O 411.554000 |
BIUMRCHVHRBUEU-GOSISDBHSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1588
|
Local ready
Direct docking supported
|
|
E3L065540
LIG000110
|
4i
CNC(=O)c1nc(NC(=O)Cn2cnc(C)c(C)c2=O)sc1CCc1ccccc1
|
C21H23N5O3S 425.514000 |
BJBKZPUFBPKCGX-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1479
|
Local ready
Direct docking supported
|
|
E3L065541
LIG000111
|
QXG-131-8
O=C1CCC(N2Cc3cc(NC(=O)c4cn5cc(Cl)ccc5n4)ccc3C2=O)C(=O)N1
|
C21H16ClN5O4 437.843000 |
BJBPGHNLQVARDK-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1064
|
Local ready
Direct docking supported
|
|
E3L065543
LIG000113
|
dTAG-13
CC[C@H](C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCc1ccc(OC)c(OC)c1)c1ccccc1OCC(=O)NCCCCCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)c1cc(OC)c(OC)c(OC)c1
|
C57H68N4O15 1049.184000 |
BJFBRLAWLPZOMJ-QHVFGHLPSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB189
|
Local ready
Direct docking supported
|
|
E3L065544
LIG000114
|
NE-008
Nc1c(F)ccc2c1CN(C1CCC(=O)NC1=O)C2=O
|
C13H12FN3O3 277.255000 |
BKBJVPCYJMWQCT-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB779
|
Local ready
Direct docking supported
|
|
E3L065545
LIG000115
|
NE-O10
O=C1CCC(N2C(=O)c3ccc(O)c(F)c3C2=O)C(=O)N1
|
C13H9FN2O5 292.222000 |
BLMXKFYGBWWVJK-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1015
|
Local ready
Direct docking supported
|
|
E3L065546
LIG000116
|
13(S234984)
COC(=O)c1ccc2c(c1)[nH]c1nc(Cc3ccccc3)nc(NCCCN3CCCC3)c12
|
C26H29N5O2 443.551000 |
BMAILVODSXBNIA-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB1421
|
Local ready
Direct docking supported
|
|
E3L065547
LIG000117
|
66
O=C1CCC(N2C(=O)c3cccc(NC(=O)C4CCCC4)c3C2=O)C(=O)N1
|
C19H19N3O5 369.377000 |
BMDJKHKILNJHSY-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB980
|
Local ready
Direct docking supported
|
|
E3L065548
LIG000118
|
ZXH-1-114
COc1ccc(Nc2nccc(NCC(=O)Nc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)n2)cc1
|
C26H25N7O5 515.530000 |
BMFXCYHXQFCDOI-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, MolGlueDB
BindingDB:BDBM585780; MolGlueDB:MGDB683
|
Local ready
Direct docking supported
|
|
E3L065549
LIG000119
|
38
O=C1CCN(c2cccc(OCc3ccc(CN4CCOCC4)cc3)c2)C(=O)N1
|
C22H25N3O4 395.459000 |
BMLNMNBNBLSVBZ-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB780
|
Local ready
Direct docking supported
|
|
E3L065550
LIG000120
|
NRX-252114
N#Cc1cccc2c1CN(C(=O)c1c(Sc3c(Cl)cccc3Cl)cc(C(F)(F)F)[nH]c1=O)C2
|
C22H12Cl2F3N3O2S 510.324000 |
BMQXGPBUQGPLOV-UHFFFAOYSA-N | - | - |
MolGlueDB
MolGlueDB:MGDB770
|
Local ready
Direct docking supported
|