| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L030421
BDB030421
|
BDBM614364
CNS(=O)(=O)Nc1nccc(Cc2cc(C(=O)NC3CC3)c(Nc3ccc(C4CC4)cc3F)c(F)c2F)c1F
|
C26H25F4N5O3S 563.577000 |
ZXRMCWVMPXUCJH-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614364; PubChem:CID156808787
|
Local ready
Direct docking supported
|
|
E3L030422
BDB030422
|
BDBM614365
CNS(=O)(=O)Nc1nccc(Cc2cc(C(=O)NOC)c(Nc3ccc(C4CC4)cc3F)c(F)c2F)c1F
|
C24H23F4N5O4S 553.538000 |
MLELTKLIDNFCOS-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614365; PubChem:CID156808946
|
Local ready
Direct docking supported
|
|
E3L030423
BDB030423
|
BDBM614366
CNS(=O)(=O)Nc1nccc(Cc2cc(C(=O)NOC)c(Nc3ccc(Br)cc3F)c(F)c2F)c1F
|
C21H18BrF4N5O4S 592.369000 |
LTRIGNNYJQRLEJ-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614366; PubChem:CID156808833
|
Local ready
Direct docking supported
|
|
E3L030424
BDB030424
|
BDBM614367
CNS(=O)(=O)Nc1nccc(Cc2cc(C(=O)NOC)c(Nc3ccc(Cl)cc3F)c(F)c2F)c1F
|
C21H18ClF4N5O4S 547.918000 |
BKMQVXMXPSFWIB-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614367; PubChem:CID156808913
|
Local ready
Direct docking supported
|
|
E3L030425
BDB030425
|
BDBM614368
CC1(NS(=O)(=O)Nc2nccc(Cc3cc(C(=O)NC4CC4)c(Nc4ccc(C5CC5)cc4F)c(F)c3F)c2F)CCC1
|
C30H31F4N5O3S 617.669000 |
QDXQGTXUKDYEBI-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614368; PubChem:CID156808806
|
Local ready
Direct docking supported
|
|
E3L030426
BDB030426
|
BDBM614369
CONC(=O)c1cc(Cc2ccnc(NS(=O)(=O)NC3(C)CCC3)c2F)c(F)c(F)c1Nc1ccc(C2CC2)cc1F
|
C28H29F4N5O4S 607.630000 |
XXYXZSAPTFLBKY-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614369; PubChem:CID156808742
|
Local ready
Direct docking supported
|
|
E3L030427
BDB030427
|
BDBM614370
CCS(=O)(=O)Nc1nccc(Cc2cc(C(=O)NC3CC3)c(Nc3ccc(C4CC4)cc3F)c(F)c2F)c1F
|
C27H26F4N4O3S 562.589000 |
MWDSZUJPXOABAB-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614370; PubChem:CID156808713
|
Local ready
Direct docking supported
|
|
E3L030428
BDB030428
|
BDBM614371
CCS(=O)(=O)Nc1nccc(Cc2cc(C(=O)NOC)c(Nc3ccc(C4CC4)cc3F)c(F)c2F)c1F
|
C25H24F4N4O4S 552.550000 |
NEHSGKZSBWLRCZ-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614371; PubChem:CID156808709
|
Local ready
Direct docking supported
|
|
E3L030429
BDB030429
|
BDBM614372
CONC(=O)c1cc(Cc2ccnc(NS(C)(=O)=O)c2F)c(F)c(F)c1Nc1ccc(C2CC2)cc1F
|
C24H22F4N4O4S 538.523000 |
OZZKFBLHUBAGEQ-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614372; PubChem:CID156808905
|
Local ready
Direct docking supported
|
|
E3L030430
BDB030430
|
BDBM614373
CNS(=O)(=O)Nc1nccc(Cc2cc(C(N)=O)c(Nc3ccc(SC(F)F)cc3F)c(F)c2F)c1F
|
C21H17F6N5O3S2 565.521000 |
FRLQZRDDFJVTJS-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614373; PubChem:CID156808927
|
Local ready
Direct docking supported
|
|
E3L030431
BDB030431
|
BDBM614374
CNS(=O)(=O)Nc1nccc(Cc2cc(C(N)=O)c(Nc3ccc4sccc4c3)c(F)c2F)c1F
|
C22H18F3N5O3S2 521.546000 |
UPUBHFBOYYXILS-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614374; PubChem:CID156808974
|
Local ready
Direct docking supported
|
|
E3L030432
BDB030432
|
BDBM614376
CNS(=O)(=O)Nc1nccc(Oc2cc(C(N)=O)c(Nc3ccc(I)cc3F)c(F)c2F)c1F
|
C19H14F4IN5O4S 611.315000 |
NFDHPUYCJNANAA-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614376; PubChem:CID156808901
|
Local ready
Direct docking supported
|
|
E3L030433
BDB030433
|
BDBM614377
CNS(=O)(=O)Nc1cccc(Cc2cc(C(N)=O)c(Nc3ccc(I)cc3F)c(F)c2F)n1
|
C20H17F3IN5O3S 591.353000 |
OQADNYQXVWLBPF-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614377; PubChem:CID156808821
|
Local ready
Direct docking supported
|
|
E3L030434
BDB030434
|
BDBM614378
CNS(=O)(=O)Nc1nccc(Cc2cc(C(N)=O)c(Nc3ccc(I)cc3F)cc2F)c1F
|
C20H17F3IN5O3S 591.353000 |
DYPFTHVSPQWZLZ-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614378; PubChem:CID156808924
|
Local ready
Direct docking supported
|
|
E3L030435
BDB030435
|
BDBM614379
CCNS(=O)(=O)Nc1nccc(Cc2cc(C(N)=O)c(Nc3ccc(I)cc3F)cc2F)c1F
|
C21H19F3IN5O3S 605.380000 |
GPQZSOKVRXFLTO-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614379; PubChem:CID156808768
|
Local ready
Direct docking supported
|
|
E3L030436
BDB030436
|
BDBM614380
NC(=O)c1cc(Cc2ccnc(NS(=O)(=O)NC3CC3)c2F)c(F)cc1Nc1ccc(I)cc1F
|
C22H19F3IN5O3S 617.391000 |
OGFOENLUWIJPAQ-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614380; PubChem:CID156808858
|
Local ready
Direct docking supported
|
|
E3L030437
BDB030437
|
BDBM614381
COCCNS(=O)(=O)Nc1nccc(Cc2cc(C(N)=O)c(Nc3ccc(I)cc3F)cc2F)c1F
|
C22H21F3IN5O4S 635.406000 |
BKWCDRNUXDVCQV-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614381; PubChem:CID156808931
|
Local ready
Direct docking supported
|
|
E3L030438
BDB030438
|
BDBM614382
CNS(=O)(=O)Nc1nccc(Cc2cc(C(N)=O)c(Nc3ccc(I)cc3F)n(C)c2=O)c1F
|
C20H19F2IN6O4S 604.377000 |
FYVWDSXUBVIRLZ-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614382; PubChem:CID156808855
|
Local ready
Direct docking supported
|
|
E3L030439
BDB030439
|
BDBM614383
COCCNS(=O)(=O)Nc1nccc(Cc2cc(C(N)=O)c(Nc3ccc(I)cc3F)n(C)c2=O)c1F
|
C22H23F2IN6O5S 648.430000 |
TVOFCCIKXFMAKW-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614383; PubChem:CID156808733
|
Local ready
Direct docking supported
|
|
E3L030440
BDB030440
|
BDBM614384
CNS(=O)(=O)Nc1nccc(Cc2cc(C(N)=O)c(Nc3ccc(C4CC4)cc3F)n(C)c2=O)c1F
|
C23H24F2N6O4S 518.546000 |
MTLRPYAACHUORY-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614384; PubChem:CID156808769
|
Local ready
Direct docking supported
|