| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L030381
BDB030381
|
BDBM614322
CNS(=O)(=O)Nc1cccc(Cc2cc(C(=O)NC3CC3)c(Nc3ccc(I)cc3F)c(F)c2F)c1F
|
C24H21F4IN4O3S 648.420000 |
XKJZAXRHJJVTOB-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614322; PubChem:CID156808898
|
Local ready
Direct docking supported
|
|
E3L030382
BDB030382
|
BDBM614323
NS(=O)(=O)Nc1cccc(Cc2cc(C(=O)NC3CC3)c(Nc3ccc(I)cc3F)c(F)c2F)c1F
|
C23H19F4IN4O3S 634.393000 |
IUEPNGJGSBBBHF-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614323; PubChem:CID156808745
|
Local ready
Direct docking supported
|
|
E3L030383
BDB030383
|
BDBM614324
CCS(=O)(=O)Nc1cccc(Cc2cc(C(=O)NC3CC3)c(Nc3ccc(I)cc3F)c(F)c2F)c1F
|
C25H22F4IN3O3S 647.432000 |
KPIKBRJPWVYBJZ-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614324; PubChem:CID156808731
|
Local ready
Direct docking supported
|
|
E3L030384
BDB030384
|
BDBM614326
CC1(NS(=O)(=O)Nc2cccc(Cc3cc(C(N)=O)c(Nc4ccc(I)cc4F)c(F)c3F)c2F)CCC1
|
C25H23F4IN4O3S 662.447000 |
VOSBQMIZOZZEBZ-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614326; PubChem:CID156808815
|
Local ready
Direct docking supported
|
|
E3L030385
BDB030385
|
BDBM614327
CC1(NS(=O)(=O)Nc2cccc(Cc3cc(C(=O)NC4CC4)c(Nc4ccc(I)cc4F)c(F)c3F)c2F)CCC1
|
C28H27F4IN4O3S 702.512000 |
NKWJABPDWZOARV-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614327; PubChem:CID156808922
|
Local ready
Direct docking supported
|
|
E3L030386
BDB030386
|
BDBM614328
CNS(=O)(=O)Nc1cccc(Cc2cc(C(=O)NOC)c(Nc3ccc(I)cc3F)c(F)c2F)c1F
|
C22H19F4IN4O4S 638.381000 |
SELMBQSIGDYSEC-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614328; PubChem:CID156808850
|
Local ready
Direct docking supported
|
|
E3L030387
BDB030387
|
BDBM614329
CONC(=O)c1cc(Cc2cccc(NS(N)(=O)=O)c2F)c(F)c(F)c1Nc1ccc(I)cc1F
|
C21H17F4IN4O4S 624.354000 |
LGBJHKOWLHCKDD-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614329; PubChem:CID156808878
|
Local ready
Direct docking supported
|
|
E3L030388
BDB030388
|
BDBM614330
CONC(=O)c1cc(Cc2cccc(NS(=O)(=O)NC3(C)CCC3)c2F)c(F)c(F)c1Nc1ccc(I)cc1F
|
C26H25F4IN4O4S 692.473000 |
LMWLLHDHDDTUEP-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614330; PubChem:CID156808854
|
Local ready
Direct docking supported
|
|
E3L030389
BDB030389
|
BDBM614331
CNS(=O)(=O)Nc1cccc(Cc2cc(C(N)=O)c(Nc3ccc(C4CC4)cc3F)c(F)c2F)c1F
|
C24H22F4N4O3S 522.524000 |
SHCKUMUTBGFGMV-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614331; PubChem:CID156808702
|
Local ready
Direct docking supported
|
|
E3L030390
BDB030390
|
BDBM614333
CNS(=O)(=O)Nc1cccc(Cc2cc(C(=O)NC3CC3)c(Nc3ccc(C4CC4)cc3F)c(F)c2F)c1F
|
C27H26F4N4O3S 562.589000 |
OCVCSIMMOXZLLC-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614333; PubChem:CID156808728
|
Local ready
Direct docking supported
|
|
E3L030391
BDB030391
|
BDBM614334
CNS(=O)(=O)Nc1cccc(Cc2cc(C(=O)NOC)c(Nc3ccc(C4CC4)cc3F)c(F)c2F)c1F
|
C25H24F4N4O4S 552.550000 |
SZWMQRVECIKICL-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614334; PubChem:CID156808842
|
Local ready
Direct docking supported
|
|
E3L030392
BDB030392
|
BDBM614335
CCS(=O)(=O)Nc1cccc(Cc2cc(C(=O)NOC)c(Nc3ccc(I)cc3F)c(F)c2F)c1F
|
C23H20F4IN3O4S 637.393000 |
ALLVOVRKMVXXDY-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614335; PubChem:CID156808951
|
Local ready
Direct docking supported
|
|
E3L030393
BDB030393
|
BDBM614336
CCS(=O)(=O)Nc1cccc(Cc2cc(C(=O)NOC(C)(C)C)c(Nc3ccc(I)cc3F)c(F)c2F)c1F
|
C26H26F4IN3O4S 679.474000 |
VHFTYKJUELSQJS-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614336; PubChem:CID156808975
|
Local ready
Direct docking supported
|
|
E3L030394
BDB030394
|
BDBM614337
COCC1(S(=O)(=O)Nc2cccc(Cc3cc(C(=O)NOC)c(Nc4ccc(I)cc4F)c(F)c3F)c2F)CC1
|
C26H24F4IN3O5S 693.457000 |
PLDLSGBXZGLUTQ-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614337; PubChem:CID156808732
|
Local ready
Direct docking supported
|
|
E3L030395
BDB030395
|
BDBM614338
COCC1(S(=O)(=O)Nc2cccc(Cc3cc(C(=O)NOC(C)(C)C)c(Nc4ccc(I)cc4F)c(F)c3F)c2F)CC1
|
C29H30F4IN3O5S 735.538000 |
CSAPGOSLBLMIPS-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614338; PubChem:CID156808916
|
Local ready
Direct docking supported
|
|
E3L030396
BDB030396
|
BDBM614339
CONC(=O)c1cc(Cc2cccc(NS(=O)(=O)C3(C)CC3)c2F)c(F)c(F)c1Nc1ccc(I)cc1F
|
C25H22F4IN3O4S 663.431000 |
KDGGEXSGBVHGBQ-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614339; PubChem:CID156808760
|
Local ready
Direct docking supported
|
|
E3L030397
BDB030397
|
BDBM614340
CC(C)(C)ONC(=O)c1cc(Cc2cccc(NS(=O)(=O)C3(C)CC3)c2F)c(F)c(F)c1Nc1ccc(I)cc1F
|
C28H28F4IN3O4S 705.512000 |
QKHAXMNYKRGEFU-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614340; PubChem:CID156808774
|
Local ready
Direct docking supported
|
|
E3L030398
BDB030398
|
BDBM614341
CNS(=O)(=O)Nc1cccc(Cc2cc(C(N)=O)c(Nc3ccc(I)cc3F)c(F)c2F)c1F
|
C21H17F4IN4O3S 608.355000 |
COTQMNHTEKDUSB-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614341; PubChem:CID156808977
|
Local ready
Direct docking supported
|
|
E3L030399
BDB030399
|
BDBM614342
NC(=O)c1cc(Cc2cccc(NS(N)(=O)=O)c2F)c(F)c(F)c1Nc1ccc(I)cc1F
|
C20H15F4IN4O3S 594.328000 |
PCTIECVOHLCQSU-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614342; PubChem:CID156808788
|
Local ready
Direct docking supported
|
|
E3L030400
BDB030400
|
BDBM614343
CCS(=O)(=O)Nc1cccc(Cc2cc(C(=O)NOC)c(Nc3ccc(I)cc3Cl)c(F)c2F)c1F
|
C23H20ClF3IN3O4S 653.848000 |
FVFORBHNFLVKQY-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614343; PubChem:CID156808823
|
Local ready
Direct docking supported
|