| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L013401
BDB013401
|
US10144731, Example 15
CCN1CCN(Cc2cc(C(CC(=O)O)c3cc(OC)c4c(c3)nnn4C)ccc2C)S(=O)(=O)c2ccccc21
|
C29H33N5O5S 563.680000 |
ORCXIWDDBGRHOT-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304729; PubChem:CID122653399
|
Local ready
Direct docking supported
|
|
E3L013402
BDB013402
|
US10144731, Example 16
CCN1CCN(Cc2cc(C(CC(=O)O)c3ccc4c(nnn4C)c3C)ccc2C)S(=O)(=O)c2ccccc21
|
C29H33N5O4S 547.681000 |
GRYNUYVNLFSDGO-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304730; PubChem:CID118170188
|
Local ready
Direct docking supported
|
|
E3L013403
BDB013403
|
US10144731, Example 17
COc1cc(C(CC(=O)O)c2ccc(C)c(CN3C[C@H](C)Oc4ncccc4S3(=O)=O)c2)cc2nnn(C)c12
|
C27H29N5O6S 551.625000 |
CJTSGSQAUXSAER-PBVYKCSPSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304731; PubChem:CID118170365
|
Local ready
Direct docking supported
|
|
E3L013404
BDB013404
|
US10144731, Example 18
COc1cc(C(CC(=O)O)c2ccc(C)c(CN3C[C@@H](C)Oc4ncccc4S3(=O)=O)c2)cc2nnn(C)c12
|
C27H29N5O6S 551.625000 |
CJTSGSQAUXSAER-OQHSHRKDSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304732; PubChem:CID118170459
|
Local ready
Direct docking supported
|
|
E3L013405
BDB013405
|
US10144731, Example 19
Cc1ccc([C@H](CC(=O)O)c2ccc3c(nnn3C)c2C)cc1CN1C[C@@H](C)Oc2ccccc2S1(=O)=O
|
C28H30N4O5S 534.638000 |
HKVJGRGOCHBUFK-JPYJTQIMSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304733; PubChem:CID118170106
|
Local ready
Direct docking supported
|
|
E3L013406
BDB013406
|
US10144731, Example 20
Cc1ccc([C@@H](CC(=O)O)c2ccc3c(nnn3C)c2C)cc1CN1C[C@@H](C)Oc2ccccc2S1(=O)=O
|
C28H30N4O5S 534.638000 |
HKVJGRGOCHBUFK-WZONZLPQSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304734; PubChem:CID122653584
|
Local ready
Direct docking supported
|
|
E3L013407
BDB013407
|
US10144731, Example 21
CCC1CN(Cc2cc(C(CC(=O)O)c3ccc4c(nnn4C)c3C)ccc2C)S(=O)(=O)c2ccccc2O1
|
C29H32N4O5S 548.665000 |
PSAYWSGFKCURFC-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304735; PubChem:CID118169975
|
Local ready
Direct docking supported
|
|
E3L013408
BDB013408
|
US10144731, Example 22
CCC1CN(Cc2cc(C(CC(=O)O)c3ccc4c(nnn4C)c3C)ccc2C)S(=O)(=O)c2cccnc2O1
|
C28H31N5O5S 549.653000 |
CYAWSFDLOYOCFO-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304736; PubChem:CID118170902
|
Local ready
Direct docking supported
|
|
E3L013409
BDB013409
|
US10144731, Example 23
CCC1CN(Cc2cc(C(CC(=O)O)c3cc(OC)c4c(c3)nnn4C)ccc2C)S(=O)(=O)c2ccccc2O1
|
C29H32N4O6S 564.664000 |
CGULIBNLQTVXJS-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304737; PubChem:CID118170304
|
Local ready
Direct docking supported
|
|
E3L013410
BDB013410
|
US10144731, Example 24
CCC1CN(Cc2cc(C(CC(=O)O)c3cc(OC)c4c(c3)nnn4C)ccc2C)S(=O)(=O)c2cccnc2O1
|
C28H31N5O6S 565.652000 |
JJZPWGQPPUTFLQ-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304738; PubChem:CID118170830
|
Local ready
Direct docking supported
|
|
E3L013411
BDB013411
|
US10144731, Example 25
Cc1ccc(C(CC(=O)O)c2ccc3c(nnn3C)c2C)cc1CN1C[C@@H](C)Oc2ncccc2S1(=O)=O
|
C27H29N5O5S 535.626000 |
DPUCGDIRADRVPW-PLEWWHCXSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304739; PubChem:CID118170257
|
Local ready
Direct docking supported
|
|
E3L013412
BDB013412
|
US10144731, Example 26
CCN1CCN(Cc2cc(C(CC(=O)O)c3ccc4c(nnn4C)c3C)ccc2C)S(=O)(=O)c2cccnc21
|
C28H32N6O4S 548.669000 |
IQURXROILDLSHX-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304740; PubChem:CID118169906
|
Local ready
Direct docking supported
|
|
E3L013413
BDB013413
|
US10144731, Example 27
CCN1CCN(Cc2cc(C(CC(=O)O)c3cc(OC)c4c(c3)nnn4C)ccc2C)S(=O)(=O)c2cccnc21
|
C28H32N6O5S 564.668000 |
JBXYFQNBDRELKW-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304741; PubChem:CID118170435
|
Local ready
Direct docking supported
|
|
E3L013414
BDB013414
|
US10144731, Example 28
Cc1ccc(C(CC(=O)O)c2ccc3c(c2)nnn3C)cc1CN1C[C@@H](C)Oc2ncccc2S1(=O)=O
|
C26H27N5O5S 521.599000 |
XEPNCVULOSCAJQ-OQHSHRKDSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304742; PubChem:CID118170876
|
Local ready
Direct docking supported
|
|
E3L013415
BDB013415
|
US10144731, Example 29
Cc1ccc(C(CC(=O)O)c2ccc3c(c2)nnn3C)cc1CN1C[C@@H](C)Oc2ccccc2S1(=O)=O
|
C27H28N4O5S 520.611000 |
YVVSLYWCORNKAO-ZZWBGTBQSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304743; PubChem:CID118170055
|
Local ready
Direct docking supported
|
|
E3L013416
BDB013416
|
US10144731, Example 30
CCN1CCN(Cc2cc(C(CC(=O)O)c3ccc4c(c3)nnn4C)ccc2C)S(=O)(=O)c2ccccc21
|
C28H31N5O4S 533.654000 |
PPNGGDOOVBFKCD-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304744; PubChem:CID118188766
|
Local ready
Direct docking supported
|
|
E3L013417
BDB013417
|
US10144731, Example 31
CCC1CN(Cc2cc(C(CC(=O)O)c3ccc4c(c3)nnn4C)ccc2C)S(=O)(=O)c2cccnc2O1
|
C27H29N5O5S 535.626000 |
VAANGWNZJXFEIA-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304745; PubChem:CID118169907
|
Local ready
Direct docking supported
|
|
E3L013418
BDB013418
|
US10144731, Example 32
CCC1CN(Cc2cc(C(CC(=O)O)c3ccc4c(c3)nnn4C)ccc2C)S(=O)(=O)c2ccccc2O1
|
C28H30N4O5S 534.638000 |
UHPAVJXNZSOPQI-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304746; PubChem:CID118170207
|
Local ready
Direct docking supported
|
|
E3L013419
BDB013419
|
US10144731, Example 33
CCN1CCN(Cc2cc(C(CC(=O)O)c3ccc4c(c3)nnn4C)ccc2C)S(=O)(=O)c2cccnc21
|
C27H30N6O4S 534.642000 |
WAXBHHQLKYBNQI-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304747; PubChem:CID122653503
|
Local ready
Direct docking supported
|
|
E3L013420
BDB013420
|
KI696 isomer
COc1cc([C@H](CC(=O)O)c2ccc(C)c(CN3C[C@@H](C)Oc4ccccc4S3(=O)=O)c2)cc2nnn(C)c12
|
C28H30N4O6S 550.637000 |
ZDNGJXBUEQNFBQ-XMSQKQJNSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304748; PubChem:CID118169940
|
Local ready
Direct docking supported
|