| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L030461
BDB030461
|
BDBM614405
CCS(=O)(=O)Nc1cccc(Cc2cc(C(=O)NOC(C)(C)C)c(Nc3ccc(I)cc3F)n(C)c2=O)c1F
|
C26H29F2IN4O5S 674.508000 |
MUXRNPAKNHSLBA-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614405; PubChem:CID156808804
|
Local ready
Direct docking supported
|
|
E3L030462
BDB030462
|
BDBM614406
CCS(=O)(=O)Nc1cccc(Cc2cc(C(N)=O)c(Nc3ccc(I)cc3F)n(C)c2=O)c1F
|
C22H21F2IN4O4S 602.401000 |
XCDDJSDCNNSGEH-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614406; PubChem:CID156808872
|
Local ready
Direct docking supported
|
|
E3L030463
BDB030463
|
BDBM614407
Cn1c(Nc2ccc(I)cc2F)c(C(=O)NC2CC2)cc(Cc2cccc(NS(=O)(=O)C3(C)CC3)c2F)c1=O
|
C27H27F2IN4O4S 668.504000 |
RXYXZBWUKQLVKR-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614407; PubChem:CID156808696
|
Local ready
Direct docking supported
|
|
E3L030464
BDB030464
|
BDBM614408
Cn1c(Nc2ccc(I)cc2F)c(C(=O)NOC(C)(C)C)cc(Cc2cccc(NS(=O)(=O)C3(C)CC3)c2F)c1=O
|
C28H31F2IN4O5S 700.546000 |
GRZCUOLWBQKOEY-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614408; PubChem:CID156808968
|
Local ready
Direct docking supported
|
|
E3L030465
BDB030465
|
BDBM614409
CCNS(=O)(=O)Nc1cccc(Cc2cc(C(=O)NC3CC3)c(Nc3ccc(I)cc3F)n(C)c2=O)c1F
|
C25H26F2IN5O4S 657.481000 |
LXLMKDYNQSTBFW-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614409; PubChem:CID156808938
|
Local ready
Direct docking supported
|
|
E3L030466
BDB030466
|
BDBM614411
CNS(=O)(=O)Nc1nccc(Cc2cc(C(N)=O)c(Nc3ccc(I)cc3F)n3cncc23)c1F
|
C21H18F2IN7O3S 613.388000 |
FWQJRYBMLTWKKN-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614411; PubChem:CID156808757
|
Local ready
Direct docking supported
|
|
E3L030467
BDB030467
|
BDBM614412
CNS(=O)(=O)Nc1nccc(Cn2cc(C(N)=O)c(Nc3ccc(I)cc3F)c(F)c2=O)c1F
|
C19H16F3IN6O4S 608.340000 |
MRONWWYUJGYEFK-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614412; PubChem:CID156808886
|
Local ready
Direct docking supported
|
|
E3L030468
BDB030468
|
BDBM614413
CCCNS(=O)(=O)Nc1nccc(Cn2cc(C(N)=O)c(Nc3ccc(I)cc3F)c(F)c2=O)c1F
|
C21H20F3IN6O4S 636.394000 |
GSSSJMXLSDAINU-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614413; PubChem:CID156808936
|
Local ready
Direct docking supported
|
|
E3L030469
BDB030469
|
BDBM614414
CNS(=O)(=O)Nc1nccc(Cn2cc(C(N)=O)c(Nc3ccc(SC)cc3F)c(F)c2=O)c1F
|
C20H19F3N6O4S2 528.538000 |
YLQUXDOVSUUPRE-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614414; PubChem:CID156808907
|
Local ready
Direct docking supported
|
|
E3L030470
BDB030470
|
BDBM614415
CNS(=O)(=O)Nc1nccc(Cn2cc(C(N)=O)c(Nc3ccc(I)cc3F)c(C)c2=O)c1F
|
C20H19F2IN6O4S 604.377000 |
WHQSHUVXTQTMMK-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614415; PubChem:CID156808810
|
Local ready
Direct docking supported
|
|
E3L030471
BDB030471
|
BDBM614416
CCS(=O)(=O)Nc1nccc(Cn2cc(C(N)=O)c(Nc3ccc(I)cc3F)c(C)c2=O)c1F
|
C21H20F2IN5O4S 603.389000 |
LNQFHCFBVWZBDV-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614416; PubChem:CID156808959
|
Local ready
Direct docking supported
|
|
E3L030472
BDB030472
|
BDBM614417
Cc1c(Nc2ccc(I)cc2F)c(C(N)=O)cn(Cc2ccnc(NS(=O)(=O)NC3(C)CCC3)c2F)c1=O
|
C24H25F2IN6O4S 658.469000 |
QNTGJAKMNSBSBC-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614417; PubChem:CID156808978
|
Local ready
Direct docking supported
|
|
E3L030473
BDB030473
|
BDBM614418
CCS(=O)(=O)Nc1nccc(Cn2cc(C(=O)NC3CC3)c(Nc3ccc(I)cc3F)c(C)c2=O)c1F
|
C24H24F2IN5O4S 643.454000 |
ZTWYLYKACYNBBZ-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614418; PubChem:CID156808714
|
Local ready
Direct docking supported
|
|
E3L030474
BDB030474
|
BDBM614419
CCS(=O)(=O)Nc1nccc(Cn2cc(C(=O)NOC)c(Nc3ccc(I)cc3F)c(C)c2=O)c1F
|
C22H22F2IN5O5S 633.415000 |
SGCQOTWECLPFOA-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614419; PubChem:CID156808859
|
Local ready
Direct docking supported
|
|
E3L030475
BDB030475
|
BDBM614420
CNS(=O)(=O)Nc1nccc(Cn2cc(C(=O)NC3CC3)c(Nc3ccc(I)cc3F)c(C)c2=O)c1F
|
C23H23F2IN6O4S 644.442000 |
KVLZSRGASWOICS-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614420; PubChem:CID156808849
|
Local ready
Direct docking supported
|
|
E3L030476
BDB030476
|
BDBM614421
CNS(=O)(=O)Nc1nccc(Cn2cc(C(=O)NOC)c(Nc3ccc(I)cc3F)c(C)c2=O)c1F
|
C21H21F2IN6O5S 634.403000 |
UYEYSWPYMREJSD-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614421; PubChem:CID156808965
|
Local ready
Direct docking supported
|
|
E3L030477
BDB030477
|
BDBM614424
CC(C)S(=O)(=O)Nc1cccc(Oc2cncc(Nc3ccc(I)cc3F)c2C(N)=O)c1
|
C21H20FIN4O4S 570.384000 |
CIKANSHRRQAREB-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614424; PubChem:CID56956253
|
Local ready
Direct docking supported
|
|
E3L030478
BDB030478
|
BDBM614425
NC(=O)c1c(Nc2ccc(I)cc2F)cncc1Oc1cccc(NS(=O)(=O)C2CC2)c1
|
C21H18FIN4O4S 568.368000 |
DVSZEHUFBBJQKJ-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614425; PubChem:CID56970682
|
Local ready
Direct docking supported
|
|
E3L030479
BDB030479
|
US20230271937, Example A7-1
NC(=O)CN1CC[C@@H](CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)[C@H](O)C1
|
C23H28F4N6O2 496.509000 |
ZJABFXPOYIJVMY-MAUKXSAKSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM614809; PubChem:CID156511642
|
Local ready
Direct docking supported
|
|
E3L030480
BDB030480
|
US20230271937, Example A7-49
NC(=O)CN1CC[C@@H](CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)[C@@H](O)C1
|
C23H28F4N6O2 496.509000 |
ZJABFXPOYIJVMY-YJBOKZPZSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM614811; PubChem:CID156496959
|
Local ready
Direct docking supported
|