| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L030321
BDB030321
|
US11725001, Example 1
COc1ccc2c(c1)OCCN(CC(O)CN1CCc3ccccc3C1)C2=O
|
C22H26N2O4 382.460000 |
PXMJYMBKLBPZBH-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM612738; PubChem:CID156207801
|
Local ready
Direct docking supported
|
|
E3L030322
BDB030322
|
US11725001, Example 148
O=C1c2ccccc2CCCN1CC(O)CN1CCc2ccccc2C1
|
C22H26N2O2 350.462000 |
UWFXYQDIKGCKTE-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM613259; PubChem:CID156207870
|
Local ready
Direct docking supported
|
|
E3L030323
BDB030323
|
US11725001, Example 158
CCN1C(=O)CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(Br)cc21
|
C23H26BrN3O3 472.383000 |
JOPZTVPVHMQRRO-LJQANCHMSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM613269; PubChem:CID156207979
|
Local ready
Direct docking supported
|
|
E3L030324
BDB030324
|
US11725001, Example 198
CN(C(=O)OC(C)(C)C)C1CCC(Oc2ccc3c(c2)OCCN(C[C@H](O)CN2CCc4ccccc4C2)C3=O)CC1
|
C33H45N3O6 579.738000 |
SZCLZQLPZUCIDG-WTGGTCQISA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM613309; PubChem:CID156208203
|
Local ready
Direct docking supported
|
|
E3L030325
BDB030325
|
US11725001, Example 214
CON(C)C(=O)c1ccc2c(c1)OCCN(C[C@H](O)CN1CCc3ccccc3C1)C2=O
|
C24H29N3O5 439.512000 |
QGYQJVQYLGXTOY-HXUWFJFHSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM613324; PubChem:CID156208393
|
Local ready
Direct docking supported
|
|
E3L030326
BDB030326
|
US11725001, Example 252
C[C@@H]1CN(C[C@H](O)CN2CCc3ccccc3C2)C(=O)c2ccc(CN3CCC4(CC3)COC4)cc2O1
|
C30H39N3O4 505.659000 |
JVPOLCAMDOMOHQ-ATIYNZHBSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM613357; PubChem:CID156208276
|
Local ready
Direct docking supported
|
|
E3L030327
BDB030327
|
BDBM614265
CNS(=O)(=O)Nc1nccc(Cc2cc(C(N)=O)c(Nc3ccc(SC)cc3F)c(F)c2F)c1F
|
C21H19F4N5O3S2 529.541000 |
YKYFNNNNXYBCDU-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614265; PubChem:CID156808695
|
Local ready
Direct docking supported
|
|
E3L030328
BDB030328
|
BDBM614266
C=Cc1ccc(Nc2c(C(N)=O)cc(Cc3ccnc(NS(=O)(=O)NC)c3F)c(F)c2F)c(F)c1
|
C22H19F4N5O3S 509.485000 |
XUHYQVAQOGSJTJ-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614266; PubChem:CID156808807
|
Local ready
Direct docking supported
|
|
E3L030329
BDB030329
|
BDBM614267
C#Cc1ccc(Nc2c(C(N)=O)cc(Cc3ccnc(NS(=O)(=O)NCCC)c3F)c(F)c2F)c(F)c1
|
C24H21F4N5O3S 535.523000 |
KKCJMVOTVSOBJV-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614267; PubChem:CID156808866
|
Local ready
Direct docking supported
|
|
E3L030330
BDB030330
|
BDBM614268
NC(=O)c1cc(Cc2ccnc(NS(=O)(=O)NCC3COC3)c2F)c(F)c(F)c1Nc1ccc(I)cc1F
|
C23H20F4IN5O4S 665.407000 |
GUAIRYVTDVHCNC-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614268; PubChem:CID156808796
|
Local ready
Direct docking supported
|
|
E3L030331
BDB030331
|
BDBM614270
CC1(NS(=O)(=O)Nc2nccc(Cc3cc(C(N)=O)c(Nc4ccc(I)cc4F)c(F)c3F)c2F)CC1
|
C23H20F4IN5O3S 649.408000 |
FHOMOWNRVSMFRC-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614270; PubChem:CID156808863
|
Local ready
Direct docking supported
|
|
E3L030332
BDB030332
|
BDBM614271
COCC(C)(C)NS(=O)(=O)Nc1nccc(Cc2cc(C(N)=O)c(Nc3ccc(I)cc3F)c(F)c2F)c1F
|
C24H24F4IN5O4S 681.450000 |
JKPCWAYLRAJUNU-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614271; PubChem:CID156808960
|
Local ready
Direct docking supported
|
|
E3L030333
BDB030333
|
BDBM614272
CNS(=O)(=O)Nc1nccc(Cc2cc(C(N)=O)c(Nc3ccc(I)cc3F)c(F)c2F)c1F
|
C20H16F4IN5O3S 609.343000 |
IVLPNLXFDCHLKA-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614272; PubChem:CID156808950
|
Local ready
Direct docking supported
|
|
E3L030334
BDB030334
|
BDBM614273
C#Cc1ccc(Nc2c(C(N)=O)cc(Cc3ccnc(NS(=O)(=O)NC)c3F)c(F)c2F)c(F)c1
|
C22H17F4N5O3S 507.469000 |
ARPRCGHYASNNQS-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614273; PubChem:CID156808837
|
Local ready
Direct docking supported
|
|
E3L030335
BDB030335
|
BDBM614274
CNS(=O)(=O)Nc1nccc(Cc2cc(C(N)=O)c(Nc3ccc(Br)cc3F)c(F)c2F)c1F
|
C20H16BrF4N5O3S 562.343000 |
GWNDZYBUJRBHJC-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614274; PubChem:CID156808777
|
Local ready
Direct docking supported
|
|
E3L030336
BDB030336
|
BDBM614275
NC(=O)c1cc(Cc2ccnc(NS(=O)(=O)NC34CC(C3)C4)c2F)c(F)c(F)c1Nc1ccc(I)cc1F
|
C24H20F4IN5O3S 661.419000 |
XJDANWRYPRBMQG-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614275; PubChem:CID156808881
|
Local ready
Direct docking supported
|
|
E3L030337
BDB030337
|
BDBM614276
NC(=O)c1cc(Cc2ccnc(NS(=O)(=O)NC3CCOCC3)c2F)c(F)c(F)c1Nc1ccc(I)cc1F
|
C24H22F4IN5O4S 679.434000 |
CAEVAIJWIJNLRN-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614276; PubChem:CID156808794
|
Local ready
Direct docking supported
|
|
E3L030338
BDB030338
|
BDBM614277
NC(=O)c1cc(Cc2ccnc(NS(=O)(=O)NC3CC3)c2F)c(F)c(F)c1Nc1ccc(I)cc1F
|
C22H18F4IN5O3S 635.381000 |
HEVHEWAKLRICCA-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614277; PubChem:CID156808949
|
Local ready
Direct docking supported
|
|
E3L030339
BDB030339
|
BDBM614278
CC(C)NS(=O)(=O)Nc1nccc(Cc2cc(C(N)=O)c(Nc3ccc(I)cc3F)c(F)c2F)c1F
|
C22H20F4IN5O3S 637.397000 |
MBLVLWZXURYDFW-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614278; PubChem:CID156808722
|
Local ready
Direct docking supported
|
|
E3L030340
BDB030340
|
BDBM614279
NC(=O)c1cc(Cc2ccnc(NS(=O)(=O)NC3CCC3)c2F)c(F)c(F)c1Nc1ccc(I)cc1F
|
C23H20F4IN5O3S 649.408000 |
SGSOHKXRUURWTO-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM614279; PubChem:CID156808899
|
Local ready
Direct docking supported
|