| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L030361
BDB030361
|
BDBM614302
CCCS(=O)(=O)Nc1nccc(Cc2cc(C(N)=O)c(Nc3ccc(I)cc3F)c(F)c2F)c1F
|
C22H19F4IN4O3S 622.382000 |
XLNYFDGIIRQJMP-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614302; PubChem:CID156808812
|
Local ready
Direct docking supported
|
|
E3L030362
BDB030362
|
BDBM614303
NC(=O)c1cc(Cc2ccnc(NS(=O)(=O)NCCO)c2F)c(F)c(F)c1Nc1ccc(I)cc1F
|
C21H18F4IN5O4S 639.369000 |
NJSXKZAXYUNSFP-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614303; PubChem:CID156808693
|
Local ready
Direct docking supported
|
|
E3L030363
BDB030363
|
BDBM614304
NC(=O)c1cc(Cc2ccnc(NS(N)(=O)=O)c2F)c(F)c(F)c1Nc1ccc(I)cc1F
|
C19H14F4IN5O3S 595.316000 |
XSGBYNRBLKXGAM-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614304; PubChem:CID156808877
|
Local ready
Direct docking supported
|
|
E3L030364
BDB030364
|
BDBM614305
NC(=O)c1cc(Cc2ccnc(NS(=O)(=O)NC3CC3)c2F)c(F)c(F)c1Nc1ccc(I)cc1Cl
|
C22H18ClF3IN5O3S 651.836000 |
CHVGFSQLXGYINP-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614305; PubChem:CID156808721
|
Local ready
Direct docking supported
|
|
E3L030365
BDB030365
|
BDBM614306
O=C(NC1CC1)c1cc(Cc2ccnc(NS(=O)(=O)NC3CC3)c2F)c(F)c(F)c1Nc1ccc(I)cc1Cl
|
C25H22ClF3IN5O3S 691.901000 |
OTUVOFAIBFSMKE-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614306; PubChem:CID156808882
|
Local ready
Direct docking supported
|
|
E3L030366
BDB030366
|
BDBM614307
CC(C)(C)ONC(=O)c1cc(Cc2ccnc(NS(=O)(=O)NC3CC3)c2F)c(F)c(F)c1Nc1ccc(I)cc1Cl
|
C26H26ClF3IN5O4S 723.943000 |
QUBGEHFUYLWZSU-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614307; PubChem:CID156808860
|
Local ready
Direct docking supported
|
|
E3L030367
BDB030367
|
BDBM614308
CS(=O)(=O)Nc1nccc(Cc2cc(C(=O)NC3CC3)c(Nc3ccc(I)cc3F)c(F)c2F)c1F
|
C23H19F4IN4O3S 634.393000 |
XHKSUXGHCHDDJK-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614308; PubChem:CID156808876
|
Local ready
Direct docking supported
|
|
E3L030368
BDB030368
|
BDBM614309
CONC(=O)c1cc(Cc2ccnc(NS(C)(=O)=O)c2F)c(F)c(F)c1Nc1ccc(I)cc1F
|
C21H17F4IN4O4S 624.354000 |
ANPIINUOZKZYFD-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614309; PubChem:CID156808945
|
Local ready
Direct docking supported
|
|
E3L030369
BDB030369
|
BDBM614310
CCS(=O)(=O)Nc1nccc(Cc2cc(C(=O)NOC)c(Nc3ccc(I)cc3F)c(F)c2F)c1F
|
C22H19F4IN4O4S 638.381000 |
MZRCKIBDAXSKTH-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614310; PubChem:CID156808932
|
Local ready
Direct docking supported
|
|
E3L030370
BDB030370
|
BDBM614311
NC(=O)c1cc(Cc2ccnc(NS(N)(=O)=O)c2)c(F)c(F)c1Nc1ccc(I)cc1F
|
C19H15F3IN5O3S 577.326000 |
HDJNFIJEBGMBCW-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614311; PubChem:CID156808869
|
Local ready
Direct docking supported
|
|
E3L030371
BDB030371
|
BDBM614312
COCCNS(=O)(=O)Nc1cc(Cc2cc(C(N)=O)c(Nc3ccc(I)cc3F)c(F)c2F)ccn1
|
C22H21F3IN5O4S 635.406000 |
HXALSNAYPNDDSO-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614312; PubChem:CID156808853
|
Local ready
Direct docking supported
|
|
E3L030372
BDB030372
|
BDBM614313
CNS(=O)(=O)Nc1cc(Cc2cc(C(N)=O)c(Nc3ccc(I)cc3F)c(F)c2F)ccn1
|
C20H17F3IN5O3S 591.353000 |
CBVUTXWXSYHWDW-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614313; PubChem:CID156808888
|
Local ready
Direct docking supported
|
|
E3L030373
BDB030373
|
BDBM614314
CNS(C)(=O)=Nc1cc(Cc2cc(C(N)=O)c(Nc3ccc(I)cc3F)c(F)c2F)ccn1
|
C21H19F3IN5O2S 589.381000 |
YSOXURBNXLFBCL-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614314; PubChem:CID156808969
|
Local ready
Direct docking supported
|
|
E3L030374
BDB030374
|
BDBM614315
CNS(=O)(=O)Nc1nccc(Cc2cc(C(N)=O)c(Nc3ccc(I)cc3C)c(F)c2F)c1F
|
C21H19F3IN5O3S 605.380000 |
IOYRVIKODRKVSN-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614315; PubChem:CID156808784
|
Local ready
Direct docking supported
|
|
E3L030375
BDB030375
|
BDBM614316
CNS(=O)(=O)Nc1cccc(Cc2cc(C(=O)NC3CC3)c(Nc3ccc(I)cc3F)c(F)c2F)c1
|
C24H22F3IN4O3S 630.430000 |
LTXXWWCTWJCQQL-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614316; PubChem:CID156808861
|
Local ready
Direct docking supported
|
|
E3L030376
BDB030376
|
BDBM614317
COCCNS(=O)(=O)Nc1cccc(Cc2cc(C(N)=O)c(Nc3ccc(I)cc3F)c(F)c2F)c1F
|
C23H21F4IN4O4S 652.408000 |
YLFYLSDYLABJKV-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614317; PubChem:CID156808852
|
Local ready
Direct docking supported
|
|
E3L030377
BDB030377
|
BDBM614318
COCC(C)(C)NS(=O)(=O)Nc1cccc(Cc2cc(C(N)=O)c(Nc3ccc(I)cc3F)c(F)c2F)c1F
|
C25H25F4IN4O4S 680.462000 |
YVFAWXDKCQRMPA-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614318; PubChem:CID156808930
|
Local ready
Direct docking supported
|
|
E3L030378
BDB030378
|
BDBM614319
NC(=O)c1cc(Cc2cccc(NS(=O)(=O)NC[C@H]3CCCO3)c2F)c(F)c(F)c1Nc1ccc(I)cc1F
|
C25H23F4IN4O4S 678.446000 |
RZQMSENSUWINNW-MRXNPFEDSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614319; PubChem:CID156808718
|
Local ready
Direct docking supported
|
|
E3L030379
BDB030379
|
BDBM614320
CCS(=O)(=O)Nc1cccc(Cc2cc(C(N)=O)c(Nc3ccc(I)cc3F)c(F)c2F)c1F
|
C22H18F4IN3O3S 607.367000 |
JMFSLLJECHALSO-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614320; PubChem:CID156808798
|
Local ready
Direct docking supported
|
|
E3L030380
BDB030380
|
BDBM614321
COCCS(=O)(=O)Nc1cccc(Cc2cc(C(N)=O)c(Nc3ccc(I)cc3F)c(F)c2F)c1F
|
C23H20F4IN3O4S 637.393000 |
VTZVVDZIRWWZJR-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614321; PubChem:CID156808914
|
Local ready
Direct docking supported
|