| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L030401
BDB030401
|
BDBM614344
CCS(=O)(=O)Nc1cccc(Cc2cc(C(=O)NOC(C)(C)C)c(Nc3ccc(I)cc3Cl)c(F)c2F)c1F
|
C26H26ClF3IN3O4S 695.929000 |
MEPYJUWXGSNWDU-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614344; PubChem:CID156808883
|
Local ready
Direct docking supported
|
|
E3L030402
BDB030402
|
BDBM614345
CCS(=O)(=O)Nc1cccc(Cc2cc(C(N)=O)c(Nc3ccc(I)cc3Cl)c(F)c2F)c1F
|
C22H18ClF3IN3O3S 623.822000 |
YHATZJNTNYXLOB-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614345; PubChem:CID156808983
|
Local ready
Direct docking supported
|
|
E3L030403
BDB030403
|
BDBM614346
CC(C)(C)ONC(=O)c1cc(Cc2cccc(NS(=O)(=O)NC3CC3)c2F)c(F)c(F)c1Nc1ccc(I)cc1Cl
|
C27H27ClF3IN4O4S 722.955000 |
FJCQZSRKMFPCOW-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614346; PubChem:CID156808712
|
Local ready
Direct docking supported
|
|
E3L030404
BDB030404
|
BDBM614347
CS(=O)(=O)Nc1cccc(Cc2cc(C(N)=O)c(Nc3ccc(I)cc3F)c(F)c2F)c1F
|
C21H16F4IN3O3S 593.340000 |
RNRYJOIXVZVCNT-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614347; PubChem:CID156808729
|
Local ready
Direct docking supported
|
|
E3L030405
BDB030405
|
BDBM614348
NC(=O)c1cc(Cc2cccc(NS(=O)(=O)CC3CC3)c2F)c(F)c(F)c1Nc1ccc(I)cc1F
|
C24H20F4IN3O3S 633.405000 |
REOWJUIZCQXSQH-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614348; PubChem:CID156808839
|
Local ready
Direct docking supported
|
|
E3L030406
BDB030406
|
BDBM614349
NC(=O)c1cc(Cc2cccc(NS(=O)(=O)CCCF)c2F)c(F)c(F)c1Nc1ccc(I)cc1F
|
C23H19F5IN3O3S 639.384000 |
JGXHQMQPGIDNQB-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614349; PubChem:CID156808773
|
Local ready
Direct docking supported
|
|
E3L030407
BDB030407
|
BDBM614350
CC1(S(=O)(=O)Nc2cccc(Cc3cc(C(N)=O)c(Nc4ccc(I)cc4F)c(F)c3F)c2F)CC1
|
C24H20F4IN3O3S 633.405000 |
WLGLAXWJUWQYEQ-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614350; PubChem:CID156808697
|
Local ready
Direct docking supported
|
|
E3L030408
BDB030408
|
BDBM614351
CC(C)CS(=O)(=O)Nc1cccc(Cc2cc(C(N)=O)c(Nc3ccc(I)cc3F)c(F)c2F)c1F
|
C24H22F4IN3O3S 635.421000 |
FPFBRLFCFHRESP-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614351; PubChem:CID156808840
|
Local ready
Direct docking supported
|
|
E3L030409
BDB030409
|
BDBM614352
CCCS(=O)(=O)Nc1cccc(Cc2cc(C(N)=O)c(Nc3ccc(I)cc3F)c(F)c2F)c1F
|
C23H20F4IN3O3S 621.394000 |
VOURFPDYANCOLP-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614352; PubChem:CID156808781
|
Local ready
Direct docking supported
|
|
E3L030410
BDB030410
|
BDBM614353
COCC1(S(=O)(=O)Nc2cccc(Cc3cc(C(N)=O)c(Nc4ccc(I)cc4F)c(F)c3F)c2F)CC1
|
C25H22F4IN3O4S 663.431000 |
DAHOKVXQXIXZEY-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614353; PubChem:CID156808920
|
Local ready
Direct docking supported
|
|
E3L030411
BDB030411
|
BDBM614354
NC(=O)c1cc(Cc2cccc(NS(=O)(=O)C3CCC3)c2F)c(F)c(F)c1Nc1ccc(I)cc1F
|
C24H20F4IN3O3S 633.405000 |
JDBMWHCBKTXEIL-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614354; PubChem:CID156808902
|
Local ready
Direct docking supported
|
|
E3L030412
BDB030412
|
BDBM614355
NC(=O)c1cc(Cc2cccc(NS(=O)(=O)C3COC3)c2F)c(F)c(F)c1Nc1ccc(I)cc1F
|
C23H18F4IN3O4S 635.377000 |
SIBULRRGAQTCNA-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614355; PubChem:CID156808870
|
Local ready
Direct docking supported
|
|
E3L030413
BDB030413
|
BDBM614356
NC(=O)c1cc(Cc2cccc(NS(=O)(=O)C3CC3)c2F)c(F)c(F)c1Nc1ccc(I)cc1F
|
C23H18F4IN3O3S 619.378000 |
AFPAJDOKDKWGGI-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614356; PubChem:CID156808795
|
Local ready
Direct docking supported
|
|
E3L030414
BDB030414
|
BDBM614357
NC(=O)c1cc(Cc2cccc(NS(=O)(=O)C3CCOCC3)c2F)c(F)c(F)c1Nc1ccc(I)cc1F
|
C25H22F4IN3O4S 663.431000 |
QJRCOIYPHTWFQW-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614357; PubChem:CID156808767
|
Local ready
Direct docking supported
|
|
E3L030415
BDB030415
|
BDBM614358
CC(C)S(=O)(=O)Nc1cccc(Cc2cc(C(N)=O)c(Nc3ccc(I)cc3F)c(F)c2F)c1F
|
C23H20F4IN3O3S 621.394000 |
OLLSPENBOWNTBY-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614358; PubChem:CID156808887
|
Local ready
Direct docking supported
|
|
E3L030416
BDB030416
|
BDBM614359
CS(=O)(=O)Nc1cccc(Cc2cc(C(=O)NC3CC3)c(Nc3ccc(I)cc3F)c(F)c2F)c1F
|
C24H20F4IN3O3S 633.405000 |
OXHGKUOZRLFONP-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614359; PubChem:CID156808879
|
Local ready
Direct docking supported
|
|
E3L030417
BDB030417
|
BDBM614360
CONC(=O)c1cc(Cc2cccc(NS(C)(=O)=O)c2F)c(F)c(F)c1Nc1ccc(I)cc1F
|
C22H18F4IN3O4S 623.366000 |
OZMFPIJIZRXMPR-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614360; PubChem:CID156808803
|
Local ready
Direct docking supported
|
|
E3L030418
BDB030418
|
BDBM614361
CNS(=O)(=O)Nc1cccc(Cc2cc(C(N)=O)c(Nc3ccc(I)cc3F)c(F)c2F)c1
|
C21H18F3IN4O3S 590.365000 |
BOUKILWEXWLSRJ-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614361; PubChem:CID156808738
|
Local ready
Direct docking supported
|
|
E3L030419
BDB030419
|
BDBM614362
CCS(=O)(=O)Nc1cccc(Cc2cc(C(N)=O)c(Nc3ccc(I)cc3F)c(F)c2F)c1
|
C22H19F3IN3O3S 589.377000 |
GUGQTZDITULCAM-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614362; PubChem:CID156808979
|
Local ready
Direct docking supported
|
|
E3L030420
BDB030420
|
BDBM614363
COCCS(=O)(=O)Nc1cccc(Cc2cc(C(N)=O)c(Nc3ccc(I)cc3F)c(F)c2F)c1
|
C23H21F3IN3O4S 619.403000 |
OGTULHQQFZVXGB-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614363; PubChem:CID156808981
|
Local ready
Direct docking supported
|