| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L017521
BDB017521
|
US10407446, Example 13
Cc1cc2ncnn2cc1Nc1ncc2c(n1)n(C1CCCCC1)c(=O)n2C
|
C19H22N8O 378.440000 |
PCTWMWBDQSWVBE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM413460; PubChem:CID135151301
|
Local ready
Direct docking supported
|
|
E3L017522
BDB017522
|
US10428104, Example 60
Nc1ncnc2c1c(F)cn2[C@@H]1O[C@H]([C@H](O)c2ccc(F)c(F)c2)[C@@H](O)[C@H]1O
|
C17H15F3N4O4 396.325000 |
NYDWXLPQKNNOER-QFRSUPTLSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM415529; PubChem:CID122482730
|
Local ready
Direct docking supported
|
|
E3L017523
BDB017523
|
US10428104, Example 85
Nc1ncnc2c1ccn2[C@@H]1O[C@H]([C@H](O)c2ccc(F)c(F)c2)[C@@H](O)[C@H]1O
|
C17H16F2N4O4 378.335000 |
YDGIDMHKHFFVPX-QFRSUPTLSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM415554; PubChem:CID122482704
|
Local ready
Direct docking supported
|
|
E3L017524
BDB017524
|
BDBM415556
Nc1ncnc2c1ccn2[C@@H]1O[C@H]([C@H](O)c2ccc(Cl)cc2)[C@@H](O)[C@H]1O
|
C17H17ClN4O4 376.800000 |
ITEKIFMGFZAFPM-QFRSUPTLSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM415556; PubChem:CID122497020
|
Local ready
Direct docking supported
|
|
E3L017525
BDB017525
|
BDBM415567
COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(OC(C(=O)O)c3ccccc3)c3ccccc23)cc1
|
C27H23NO8S 521.547000 |
JQAHOCVFDRVYJG-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM415567; PubChem:CID154584167
|
Local ready
Direct docking supported
|
|
E3L017526
BDB017526
|
BDBM415602
Cc1cc(C)c(S(=O)(=O)N(CC(N)=O)c2ccc(OC(C(=O)O)c3ccccc3)c3ccccc23)c(C)c1
|
C29H28N2O6S 532.618000 |
OAKKPBRXIKFOIR-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM415602; PubChem:CID154584168
|
Local ready
Direct docking supported
|
|
E3L017527
BDB017527
|
BDBM415691
Cc1cc(C)c(S(=O)(=O)N(CC(=O)O)c2ccc(OC(C(=O)O)c3ccccc3)c3ccccc23)c(C)c1
|
C29H27NO7S 533.602000 |
CYYUUKBJPMWCSI-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM415691; PubChem:CID154584170
|
Local ready
Direct docking supported
|
|
E3L017528
BDB017528
|
BDBM415692
CC(C)(C)c1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(OC(C(=O)O)c3ccccc3)c3ccccc23)cc1
|
C30H29NO7S 547.629000 |
NHYBXSMAVMJFIN-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM415692; PubChem:CID154584171
|
Local ready
Direct docking supported
|
|
E3L017529
BDB017529
|
BDBM415693
COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(OC(C(=O)O)c3ccccc3)c3ccccc23)cc1OC
|
C28H25NO9S 551.573000 |
QBRITQNCHBPZKH-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM415693; PubChem:CID154584172
|
Local ready
Direct docking supported
|
|
E3L017530
BDB017530
|
BDBM415694
COc1cc(OC)c(S(=O)(=O)N(CC(=O)O)c2ccc(OC(C(=O)O)c3ccccc3)c3ccccc23)c(OC)c1
|
C29H27NO10S 581.599000 |
XLUSKTXXBQNSSG-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM415694; PubChem:CID154584173
|
Local ready
Direct docking supported
|
|
E3L017531
BDB017531
|
BDBM415695
CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(OC(C(=O)O)c3ccccc3)c3ccccc23)cc1
|
C28H24N2O8S 548.573000 |
QWSMAVKXXWFFSC-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM415695; PubChem:CID154584174
|
Local ready
Direct docking supported
|
|
E3L017532
BDB017532
|
BDBM415696
O=C(O)CN(c1ccc(OC(C(=O)O)c2ccccc2)c2ccccc12)S(=O)(=O)c1ccc([N+](=O)[O-])cc1
|
C26H20N2O9S 536.518000 |
GCXDBVBUINBXGN-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM415696; PubChem:CID154584175
|
Local ready
Direct docking supported
|
|
E3L017533
BDB017533
|
BDBM415697
O=C(O)CN(c1ccc(OC(C(=O)O)c2ccccc2)c2ccccc12)S(=O)(=O)c1ccc(F)cc1
|
C26H20FNO7S 509.511000 |
AWIPGXRPZOKXOT-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM415697; PubChem:CID154584176
|
Local ready
Direct docking supported
|
|
E3L017534
BDB017534
|
BDBM415698
O=C(O)CN(c1ccc(OC(C(=O)O)c2ccccc2)c2ccccc12)S(=O)(=O)c1ccc(C(F)(F)F)cc1
|
C27H20F3NO7S 559.518000 |
RTPITAGATRSMQD-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM415698; PubChem:CID154584177
|
Local ready
Direct docking supported
|
|
E3L017535
BDB017535
|
BDBM415699
Cc1cc(C)c(S(=O)(=O)Nc2ccc(OC(C(=O)O)c3ccccc3)c3ccccc23)c(C)c1
|
C27H25NO5S 475.566000 |
MRGKXUWPQRQPQL-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM415699; PubChem:CID154584178
|
Local ready
Direct docking supported
|
|
E3L017536
BDB017536
|
BDBM415700
Cc1cc(C)c(S(=O)(=O)N(Cc2nn[nH]n2)c2ccc(OC(C(=O)O)c3ccccc3)c3ccccc23)c(C)c1
|
C29H27N5O5S 557.632000 |
SFFSAQRGKZSDJN-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM415700; PubChem:CID154584179
|
Local ready
Direct docking supported
|
|
E3L017537
BDB017537
|
BDBM415701
Cc1cc(C)c(S(=O)(=O)N(CC(=O)NO)c2ccc(OC(C(=O)O)c3ccccc3)c3ccccc23)c(C)c1
|
C29H28N2O7S 548.617000 |
YXLKLSNRFCRSCM-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM415701; PubChem:CID154584180
|
Local ready
Direct docking supported
|
|
E3L017538
BDB017538
|
Keap1-Nrf2-IN-14
COc1ccc(C(Oc2ccc(N(CC(=O)O)S(=O)(=O)c3c(C)cc(C)cc3C)c3ccccc23)C(=O)O)cc1
|
C30H29NO8S 563.628000 |
SNWXNMFUFJGUTF-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM415702; PubChem:CID154584181
|
Local ready
Direct docking supported
|
|
E3L017539
BDB017539
|
BDBM415703
CCOc1ccc(C(Oc2ccc(N(CC(=O)O)S(=O)(=O)c3c(C)cc(C)cc3C)c3ccccc23)C(=O)O)cc1
|
C31H31NO8S 577.655000 |
BYDRCKDNJKPUKF-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM415703; PubChem:CID154584182
|
Local ready
Direct docking supported
|
|
E3L017540
BDB017540
|
BDBM415704
CC(=O)Nc1ccc(C(Oc2ccc(N(CC(=O)O)S(=O)(=O)c3c(C)cc(C)cc3C)c3ccccc23)C(=O)O)cc1
|
C31H30N2O8S 590.654000 |
XIOLQNIMTYKYJQ-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM415704; PubChem:CID154584183
|
Local ready
Direct docking supported
|