| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L030441
BDB030441
|
BDBM614385
Cn1c(Nc2ccc(C3CC3)cc2F)c(C(N)=O)cc(Cc2ccnc(NS(=O)(=O)NC3CC3)c2F)c1=O
|
C25H26F2N6O4S 544.584000 |
KKORZXWRRHLIMN-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614385; PubChem:CID156808734
|
Local ready
Direct docking supported
|
|
E3L030442
BDB030442
|
BDBM614386
CNS(=O)(=O)Nc1nccc(Cc2cc(C(=O)NC3CC3)c(Nc3ccc(I)cc3F)n(C)c2=O)c1F
|
C23H23F2IN6O4S 644.442000 |
NUSWWDDYQRQFHO-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614386; PubChem:CID156808941
|
Local ready
Direct docking supported
|
|
E3L030443
BDB030443
|
BDBM614387
Cn1c(Nc2ccc(I)cc2F)c(C(=O)NC2CC2)cc(Cc2ccnc(NS(=O)(=O)NC3CC3)c2F)c1=O
|
C25H25F2IN6O4S 670.480000 |
SWHQVOZRMNFELZ-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614387; PubChem:CID156808748
|
Local ready
Direct docking supported
|
|
E3L030444
BDB030444
|
BDBM614388
COCCNS(=O)(=O)Nc1nccc(Cc2cc(C(=O)NC3CC3)c(Nc3ccc(I)cc3F)n(C)c2=O)c1F
|
C25H27F2IN6O5S 688.495000 |
HQTKAIDPYRFHMI-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614388; PubChem:CID156808906
|
Local ready
Direct docking supported
|
|
E3L030445
BDB030445
|
BDBM614389
CNS(=O)(=O)Nc1nccc(Cc2cc(C(=O)NOC)c(Nc3ccc(I)cc3F)n(C)c2=O)c1F
|
C21H21F2IN6O5S 634.403000 |
SGZHLFXKVNMWRZ-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614389; PubChem:CID156808808
|
Local ready
Direct docking supported
|
|
E3L030446
BDB030446
|
BDBM614390
COCCNS(=O)(=O)Nc1nccc(Cc2cc(C(=O)NOC)c(Nc3ccc(I)cc3F)n(C)c2=O)c1F
|
C23H25F2IN6O6S 678.456000 |
IWUMUNQLJUUETN-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614390; PubChem:CID156808892
|
Local ready
Direct docking supported
|
|
E3L030447
BDB030447
|
BDBM614391
CNS(=O)(=O)Nc1nccc(Cc2cc(C(=O)NOC(C)(C)C)c(Nc3ccc(I)cc3F)n(C)c2=O)c1F
|
C24H27F2IN6O5S 676.484000 |
QUPOXIBOWFOVQM-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614391; PubChem:CID156808911
|
Local ready
Direct docking supported
|
|
E3L030448
BDB030448
|
BDBM614392
Cn1c(Nc2ccc(I)cc2F)c(C(=O)NOC(C)(C)C)cc(Cc2ccnc(NS(=O)(=O)NC3CC3)c2F)c1=O
|
C26H29F2IN6O5S 702.522000 |
RUGZAGYYZGVWBZ-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614392; PubChem:CID156808843
|
Local ready
Direct docking supported
|
|
E3L030449
BDB030449
|
BDBM614393
CCS(=O)(=O)Nc1cc(Cc2cc(C(N)=O)c(Nc3ccc(I)cc3F)n(C)c2=O)ccn1
|
C21H21FIN5O4S 585.399000 |
LCKCLGOYJLTPLI-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614393; PubChem:CID156808862
|
Local ready
Direct docking supported
|
|
E3L030450
BDB030450
|
BDBM614394
Cn1c(Nc2ccc(I)cc2F)c(C(N)=O)cc(Cc2ccnc(NS(=O)(=O)NC3CC3)c2F)c1=O
|
C22H21F2IN6O4S 630.415000 |
BMPYEMYLYOLWFA-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614394; PubChem:CID156808925
|
Local ready
Direct docking supported
|
|
E3L030451
BDB030451
|
BDBM614395
CCNS(=O)(=O)Nc1nccc(Cc2cc(C(N)=O)c(Nc3ccc(I)cc3F)n(C)c2=O)c1F
|
C21H21F2IN6O4S 618.404000 |
SCRBPYXFLBEPGI-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614395; PubChem:CID156808896
|
Local ready
Direct docking supported
|
|
E3L030452
BDB030452
|
BDBM614396
Cn1c(Nc2ccc(I)cc2F)c(C(N)=O)cc(Cc2ccnc(NS(=O)(=O)NC3(C)CCC3)c2F)c1=O
|
C24H25F2IN6O4S 658.469000 |
PLWVNCSSFNLWHM-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614396; PubChem:CID156808703
|
Local ready
Direct docking supported
|
|
E3L030453
BDB030453
|
BDBM614397
CNS(=O)(=O)Nc1cccc(Cc2cc(C(N)=O)c(Nc3ccc(I)cc3F)n(C)c2=O)c1F
|
C21H20F2IN5O4S 603.389000 |
KWSIGBRAMTYPHR-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614397; PubChem:CID156808814
|
Local ready
Direct docking supported
|
|
E3L030454
BDB030454
|
BDBM614398
CCNS(=O)(=O)Nc1cccc(Cc2cc(C(N)=O)c(Nc3ccc(I)cc3F)n(C)c2=O)c1F
|
C22H22F2IN5O4S 617.416000 |
YYNHOTVNSZCMHV-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614398; PubChem:CID156808964
|
Local ready
Direct docking supported
|
|
E3L030455
BDB030455
|
BDBM614399
Cn1c(Nc2ccc(I)cc2F)c(C(N)=O)cc(Cc2cccc(NS(=O)(=O)NC3CC3)c2F)c1=O
|
C23H22F2IN5O4S 629.427000 |
KDVBIOIYBMCFJP-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614399; PubChem:CID156808786
|
Local ready
Direct docking supported
|
|
E3L030456
BDB030456
|
BDBM614400
CNS(=O)(=O)Nc1cccc(Cc2cc(C(=O)NC3CC3)c(Nc3ccc(I)cc3F)n(C)c2=O)c1F
|
C24H24F2IN5O4S 643.454000 |
GJFBRQSLUZVDGK-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614400; PubChem:CID156808800
|
Local ready
Direct docking supported
|
|
E3L030457
BDB030457
|
BDBM614401
Cn1c(Nc2ccc(I)cc2F)c(C(=O)NC2CC2)cc(Cc2cccc(NS(=O)(=O)NC3CC3)c2F)c1=O
|
C26H26F2IN5O4S 669.492000 |
KJPIZTFQJJVHTA-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614401; PubChem:CID156808928
|
Local ready
Direct docking supported
|
|
E3L030458
BDB030458
|
BDBM614402
Cn1c(Nc2ccc(I)cc2F)c(C(N)=O)cc(Cc2cccc(NS(=O)(=O)C3(C)CC3)c2F)c1=O
|
C24H23F2IN4O4S 628.439000 |
JPOHYOWEEKRRJK-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614402; PubChem:CID156808778
|
Local ready
Direct docking supported
|
|
E3L030459
BDB030459
|
BDBM614403
CONC(=O)c1cc(Cc2cccc(NS(=O)(=O)C3(C)CC3)c2F)c(=O)n(C)c1Nc1ccc(I)cc1F
|
C25H25F2IN4O5S 658.465000 |
TZSUJFHSWGXSAL-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614403; PubChem:CID156808889
|
Local ready
Direct docking supported
|
|
E3L030460
BDB030460
|
BDBM614404
CCS(=O)(=O)Nc1cccc(Cc2cc(C(=O)NC3CC3)c(Nc3ccc(I)cc3F)n(C)c2=O)c1F
|
C25H25F2IN4O4S 642.466000 |
AIENEURRWLHMLD-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614404; PubChem:CID156808740
|
Local ready
Direct docking supported
|