| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L030341
BDB030341
|
BDBM614280
COCCNS(=O)(=O)Nc1nccc(Cc2cc(C(N)=O)c(Nc3ccc(I)cc3F)c(F)c2F)c1F
|
C22H20F4IN5O4S 653.396000 |
MAEIMZUQBHFKFG-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614280; PubChem:CID156808826
|
Local ready
Direct docking supported
|
|
E3L030342
BDB030342
|
BDBM614281
CC(C)CNS(=O)(=O)Nc1nccc(Cc2cc(C(N)=O)c(Nc3ccc(I)cc3F)c(F)c2F)c1F
|
C23H22F4IN5O3S 651.424000 |
KSKCPNLILMFPES-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614281; PubChem:CID156808793
|
Local ready
Direct docking supported
|
|
E3L030343
BDB030343
|
BDBM614282
CC1(NS(=O)(=O)Nc2nccc(Cc3cc(C(N)=O)c(Nc4ccc(I)cc4F)c(F)c3F)c2F)CCC1
|
C24H22F4IN5O3S 663.435000 |
MSWUJKZTIFJSKD-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614282; PubChem:CID156808750
|
Local ready
Direct docking supported
|
|
E3L030344
BDB030344
|
BDBM614283
NC(=O)c1cc(Cc2ccnc(NS(=O)(=O)NCC3CC3)c2F)c(F)c(F)c1Nc1ccc(I)cc1F
|
C23H20F4IN5O3S 649.408000 |
IOSBNDVPSNIAPM-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614283; PubChem:CID156808980
|
Local ready
Direct docking supported
|
|
E3L030345
BDB030345
|
BDBM614284
CC(C)(C)NS(=O)(=O)Nc1nccc(Cc2cc(C(N)=O)c(Nc3ccc(I)cc3F)c(F)c2F)c1F
|
C23H22F4IN5O3S 651.424000 |
OIEYGVGFYHDQFP-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614284; PubChem:CID156808944
|
Local ready
Direct docking supported
|
|
E3L030346
BDB030346
|
BDBM614285
CCS(=O)(=O)Nc1nccc(Cc2cc(C(N)=O)c(Nc3ccc(I)cc3F)c(F)c2F)c1F
|
C21H17F4IN4O3S 608.355000 |
BGLWMTSHLFRIJS-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614285; PubChem:CID156808926
|
Local ready
Direct docking supported
|
|
E3L030347
BDB030347
|
BDBM614286
CCS(=O)(=O)Nc1nccc(Cc2cc(C(=O)NC3CC3)c(Nc3ccc(I)cc3F)c(F)c2F)c1F
|
C24H21F4IN4O3S 648.420000 |
NYDBSTFAISDDAE-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614286; PubChem:CID156808751
|
Local ready
Direct docking supported
|
|
E3L030348
BDB030348
|
BDBM614287
CCNS(=O)(=O)Nc1nccc(Cc2cc(C(N)=O)c(Nc3ccc(I)cc3F)c(F)c2F)c1F
|
C21H18F4IN5O3S 623.370000 |
OQPWKRIFJWBPSI-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614287; PubChem:CID156808704
|
Local ready
Direct docking supported
|
|
E3L030349
BDB030349
|
BDBM614288
CCCNS(=O)(=O)Nc1nccc(Cc2cc(C(N)=O)c(Nc3ccc(I)cc3F)c(F)c2F)c1F
|
C22H20F4IN5O3S 637.397000 |
MUWRTVLHQJDEDE-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614288; PubChem:CID156808749
|
Local ready
Direct docking supported
|
|
E3L030350
BDB030350
|
BDBM614289
NC(=O)c1cc(Cc2ccnc(NS(=O)(=O)NCCF)c2F)c(F)c(F)c1Nc1ccc(I)cc1F
|
C21H17F5IN5O3S 641.360000 |
VTFKWORYPCZIMJ-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614289; PubChem:CID156808783
|
Local ready
Direct docking supported
|
|
E3L030351
BDB030351
|
BDBM614292
CCNS(=O)(=O)Nc1nccc(Cc2cc(C(=O)NOCCO)c(Nc3ccc(I)cc3F)c(F)c2F)c1F
|
C23H22F4IN5O5S 683.422000 |
XLXDRLLBZCUGME-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614292; PubChem:CID156808942
|
Local ready
Direct docking supported
|
|
E3L030352
BDB030352
|
BDBM614293
CCCNS(=O)(=O)Nc1nccc(Cc2cc(C(=O)NOCCO)c(Nc3ccc(I)cc3F)c(F)c2F)c1F
|
C24H24F4IN5O5S 697.449000 |
OHRLRWVLPBHNJE-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614293; PubChem:CID156808961
|
Local ready
Direct docking supported
|
|
E3L030353
BDB030353
|
BDBM614294
CC1(NS(=O)(=O)Nc2nccc(Cc3cc(C(N)=O)c(Nc4ccc(C5CC5)cc4F)c(F)c3F)c2F)CCC1
|
C27H27F4N5O3S 577.604000 |
JEIJQBSAHGKSHC-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614294; PubChem:CID156808820
|
Local ready
Direct docking supported
|
|
E3L030354
BDB030354
|
BDBM614295
CC1(NS(=O)(=O)Nc2nccc(Cc3cc(C(=O)NC4CC4)c(Nc4ccc(I)cc4F)c(F)c3F)c2F)CCC1
|
C27H26F4IN5O3S 703.500000 |
YUNJOJPTHYKRCY-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614295; PubChem:CID156808829
|
Local ready
Direct docking supported
|
|
E3L030355
BDB030355
|
BDBM614296
CNS(=O)(=O)Nc1nccc(Cc2cc(C(=O)NOCCO)c(Nc3ccc(I)cc3F)c(F)c2F)c1F
|
C22H20F4IN5O5S 669.395000 |
UTEIFOJYUWWJFJ-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614296; PubChem:CID156808885
|
Local ready
Direct docking supported
|
|
E3L030356
BDB030356
|
BDBM614297
CNS(=O)(=O)Nc1nccc(Cc2cc(C(=O)NOCCOC)c(Nc3ccc(I)cc3F)c(F)c2F)c1F
|
C23H22F4IN5O5S 683.422000 |
MEMXIDIPZZGONE-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614297; PubChem:CID156808884
|
Local ready
Direct docking supported
|
|
E3L030357
BDB030357
|
BDBM614298
CNS(=O)(=O)Nc1nccc(Cc2cc(C(=O)NC3CC3C)c(Nc3ccc(I)cc3F)c(F)c2F)c1F
|
C24H22F4IN5O3S 663.435000 |
ODEYDNDAGZWGHG-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614298; PubChem:CID156808841
|
Local ready
Direct docking supported
|
|
E3L030358
BDB030358
|
BDBM614299
CNS(=O)(=O)Nc1nccc(Cc2cc(C(=O)N[C@H]3C[C@H]3C)c(Nc3ccc(I)cc3F)c(F)c2F)c1F
|
C24H22F4IN5O3S 663.435000 |
ODEYDNDAGZWGHG-ZMZPIMSZSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614299; PubChem:CID156808845
|
Local ready
Direct docking supported
|
|
E3L030359
BDB030359
|
BDBM614300
CNS(=O)(=O)Nc1nccc(Cc2cc(C(=O)N[C@@H]3C[C@H]3C)c(Nc3ccc(I)cc3F)c(F)c2F)c1F
|
C24H22F4IN5O3S 663.435000 |
ODEYDNDAGZWGHG-ADLMAVQZSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614300; PubChem:CID156808910
|
Local ready
Direct docking supported
|
|
E3L030360
BDB030360
|
BDBM614301
CNS(=O)(=O)Nc1nccc(Cc2cc(C(=O)NC3CC3(F)F)c(Nc3ccc(I)cc3F)c(F)c2F)c1F
|
C23H18F6IN5O3S 685.388000 |
UUICRMJNOIDISB-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614301; PubChem:CID156808799
|
Local ready
Direct docking supported
|