| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L013441
BDB013441
|
US10144731, Example 62
COc1cc(C(CC(=O)O)c2cccc(CN3CC(C)Oc4ccccc4S3(=O)=O)c2)cc2nnn(C)c12
|
C27H28N4O6S 536.610000 |
ZXWYNATUZLXLKZ-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304770; PubChem:CID118170433
|
Local ready
Direct docking supported
|
|
E3L013442
BDB013442
|
US10144731, Example 63
COc1cc(C(CC(=O)O)c2cccc(CN3C[C@@H](C)Oc4ccccc4S3(=O)=O)c2)cc2nnn(C)c12
|
C27H28N4O6S 536.610000 |
ZXWYNATUZLXLKZ-OQHSHRKDSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304771; PubChem:CID118169838
|
Local ready
Direct docking supported
|
|
E3L013443
BDB013443
|
US10144731, Example 64
CCC1CN(Cc2cccc(C(CC(=O)O)c3cc(OC)c4c(c3)nnn4C)c2)S(=O)(=O)c2ccccc2O1
|
C28H30N4O6S 550.637000 |
QSSUJNFHVOAPEV-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304772; PubChem:CID118170607
|
Local ready
Direct docking supported
|
|
E3L013444
BDB013444
|
US10144731, Example 65
CCC1CN(Cc2cccc(C(CC(=O)O)c3cc(OC)c4c(c3)nnn4C)c2)S(=O)(=O)c2cccnc2O1
|
C27H29N5O6S 551.625000 |
RMOOKCRRIXVINV-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304773; PubChem:CID118170234
|
Local ready
Direct docking supported
|
|
E3L013445
BDB013445
|
US10144731, Example 66
Cc1c(C(CC(=O)O)c2ccc(F)c(CN3CCOc4ccccc4S3(=O)=O)c2)ccc2c1nnn2C
|
C26H25FN4O5S 524.574000 |
DRSUZWSVWLQHEW-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304774; PubChem:CID118170616
|
Local ready
Direct docking supported
|
|
E3L013446
BDB013446
|
US10144731, Example 67
Cc1c(C(CC(=O)O)c2ccc(F)c(CN3C[C@@H](C)Oc4ccccc4S3(=O)=O)c2)ccc2c1nnn2C
|
C27H27FN4O5S 538.601000 |
CYYQUZIQAPCJLW-UJONTBEJSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304775; PubChem:CID118170350
|
Local ready
Direct docking supported
|
|
E3L013447
BDB013447
|
US10144731, Example 68
CCC1CN(Cc2cc(C(CC(=O)O)c3ccc4c(nnn4C)c3C)ccc2F)S(=O)(=O)c2ccccc2O1
|
C28H29FN4O5S 552.628000 |
FOUDITGFIOIXRN-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304776; PubChem:CID118169891
|
Local ready
Direct docking supported
|
|
E3L013448
BDB013448
|
US10144731, Example 69
Cc1c(C(CC(=O)O)c2ccc(F)c(CN3C[C@@H](C)Oc4ncccc4S3(=O)=O)c2)ccc2c1nnn2C
|
C26H26FN5O5S 539.589000 |
SLZHPAVILAIJPT-IWPPFLRJSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304777; PubChem:CID118170503
|
Local ready
Direct docking supported
|
|
E3L013449
BDB013449
|
US10144731, Example 72
C[C@@H]1CN(Cc2cc(C(CC(=O)O)c3ccc4c(c3)nnn4C)ccc2Cl)S(=O)(=O)c2ccccc2O1
|
C26H25ClN4O5S 541.029000 |
XZYFMIIYOADPMK-QRIPLOBPSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304778; PubChem:CID118170405
|
Local ready
Direct docking supported
|
|
E3L013450
BDB013450
|
US10144731, Example 73
COc1cc(C(CC(=O)O)c2ccc(Cl)c(CN3C[C@@H](C)Oc4ccccc4S3(=O)=O)c2)cc2nnn(C)c12
|
C27H27ClN4O6S 571.055000 |
CQYMHLFEMQKUBC-QRIPLOBPSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304779; PubChem:CID118170618
|
Local ready
Direct docking supported
|
|
E3L013451
BDB013451
|
US10144731, Example 74
COc1cccc(C(CC(=O)O)c2ccc(C)c(CN3C[C@@H](C)Oc4ccccc4S3(=O)=O)c2)c1
|
C27H29NO6S 495.597000 |
LLMYBSXAZDMMIK-PHSANKKPSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304780; PubChem:CID118170664
|
Local ready
Direct docking supported
|
|
E3L013452
BDB013452
|
US10144731, Example 75
Cn1nnc2cc(C(CC(=O)O)c3ccc(Cl)c(CN4CCOc5ccccc5S4(=O)=O)c3)ccc21
|
C25H23ClN4O5S 527.002000 |
UYRDBYWOJSQQOH-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304781; PubChem:CID122660623
|
Local ready
Direct docking supported
|
|
E3L013453
BDB013453
|
US10144731, Example 76
COc1cccc(C(CC(=O)O)c2ccc(C)c(CN3C[C@@H](C)Oc4ccccc4S3(=O)=O)c2)c1C
|
C28H31NO6S 509.624000 |
UVNADZWWOXEWFH-PHSANKKPSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304782; PubChem:CID118170544
|
Local ready
Direct docking supported
|
|
E3L013454
BDB013454
|
US10144731, Example 77
Cc1ccc(C(CC(=O)O)c2cnc3c(c2)nnn3C)cc1CN1C[C@@H](C)Oc2ccccc2S1(=O)=O
|
C26H27N5O5S 521.599000 |
MMIORKVIDQHGLK-OQHSHRKDSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304783; PubChem:CID118170259
|
Local ready
Direct docking supported
|
|
E3L013455
BDB013455
|
US10144731, Example 78
Cc1ccc(C(CC(=O)O)c2ccn(C)c(=O)c2)cc1CN1C[C@@H](C)Oc2ccccc2S1(=O)=O
|
C26H28N2O6S 496.585000 |
WJSSYLMODFTVGW-ZZWBGTBQSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304784; PubChem:CID122653241
|
Local ready
Direct docking supported
|
|
E3L013456
BDB013456
|
US10144731, Example 79
Cc1ccc(C(CC(=O)O)c2cnc3c(nnn3C)c2C)cc1CN1C[C@@H](C)Oc2ccccc2S1(=O)=O
|
C27H29N5O5S 535.626000 |
FUYXWABFTBBPPQ-OQHSHRKDSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304785; PubChem:CID118170842
|
Local ready
Direct docking supported
|
|
E3L013457
BDB013457
|
US10144731, Example 81
COc1cncc(C(CC(=O)O)c2ccc(C)c(CN3C[C@@H](C)Oc4ccccc4S3(=O)=O)c2)c1
|
C26H28N2O6S 496.585000 |
RJGYBYWABYITLP-FKSKYRLFSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304786; PubChem:CID118170726
|
Local ready
Direct docking supported
|
|
E3L013458
BDB013458
|
US10144731, Example 83
CCC1CN(Cc2cc(C(CC(=O)O)c3ccn(C)c(=O)c3)ccc2C)S(=O)(=O)c2ccccc2O1
|
C27H30N2O6S 510.612000 |
HMFIFAOORJCVCB-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304787; PubChem:CID118170774
|
Local ready
Direct docking supported
|
|
E3L013459
BDB013459
|
US10144731, Example 84
Cc1ccc(C(CC(=O)O)c2ccn(C)c(=O)c2)cc1CN1C[C@@H](C)Oc2ncccc2S1(=O)=O
|
C25H27N3O6S 497.573000 |
XXWNAIROFABZMP-OQHSHRKDSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304788; PubChem:CID122653429
|
Local ready
Direct docking supported
|
|
E3L013460
BDB013460
|
US10144731, Example 87
Cc1ccc(C(CC(=O)O)c2cc(C)c3c(nnn3C)c2F)cc1CN1C[C@@H](C)Oc2ccccc2S1(=O)=O
|
C28H29FN4O5S 552.628000 |
IMPTVJDGGVRIHR-ITUIMRKVSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304789; PubChem:CID118170782
|
Local ready
Direct docking supported
|