| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L013421
BDB013421
|
US10144731, Example 35
CCC1CN(C(C)c2cc(C(CC(=O)O)c3ccc4c(nnn4CC)c3C)ccc2C)S(=O)(=O)c2ccccc2O1
|
C31H36N4O5S 576.719000 |
AKHCBMLHZMAGJM-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304750; PubChem:CID122660620
|
Local ready
Direct docking supported
|
|
E3L013422
BDB013422
|
US10144731, Example 36
CCn1nnc2c(C)c(C(CC(=O)O)c3ccc(C)c(CN4C[C@@H](C)Oc5ccccc5S4(=O)=O)c3)ccc21
|
C29H32N4O5S 548.665000 |
GSJYABPCKQDTOX-PHSANKKPSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304751; PubChem:CID118170164
|
Local ready
Direct docking supported
|
|
E3L013423
BDB013423
|
US10144731, Example 37
CCn1nnc2c(C)c(C(CC(=O)O)c3ccc(C)c(CN4C[C@@H](C)Oc5ncccc5S4(=O)=O)c3)ccc21
|
C28H31N5O5S 549.653000 |
IOXXTPJNZJWFCO-FKSKYRLFSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304752; PubChem:CID118170686
|
Local ready
Direct docking supported
|
|
E3L013424
BDB013424
|
US10144731, Example 38
CCC1CN(Cc2cc(C(CC(=O)O)c3ccc4c(nnn4CC)c3C)ccc2C)S(=O)(=O)c2cccnc2O1
|
C29H33N5O5S 563.680000 |
FSVDYFNASNQHCE-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304753; PubChem:CID118169794
|
Local ready
Direct docking supported
|
|
E3L013425
BDB013425
|
US10144731, Example 39
CCN1CCN(Cc2cc(C(CC(=O)O)c3ccc4c(nnn4CC)c3C)ccc2C)S(=O)(=O)c2cccnc21
|
C29H34N6O4S 562.696000 |
FJBDTVHTQZMFJX-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304754; PubChem:CID118169897
|
Local ready
Direct docking supported
|
|
E3L013426
BDB013426
|
BDBM304755
CC[C@@H]1CN(Cc2cc(C(CC(=O)O)c3ccc4c(nnn4CC)c3C)ccc2C)S(=O)(=O)c2cccnc2O1
|
C29H33N5O5S 563.680000 |
FSVDYFNASNQHCE-LETIRJCYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB
BindingDB:BDBM304755
|
Local ready
Direct docking supported
|
|
E3L013427
BDB013427
|
US10144731, Example 41
CC[C@@H]1CN(Cc2cc(C(CC(=O)O)c3ccc4c(nnn4C)c3C)ccc2C)S(=O)(=O)c2cccnc2O1
|
C28H31N5O5S 549.653000 |
CYAWSFDLOYOCFO-FKHAVUOCSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304756; PubChem:CID118169877
|
Local ready
Direct docking supported
|
|
E3L013428
BDB013428
|
US10144731, Example 42
CC[C@@H]1CN(Cc2cc(C(CC(=O)O)c3ccc4c(nnn4CC)c3C)ccc2C)S(=O)(=O)c2ccccc2O1
|
C30H34N4O5S 562.692000 |
VQHOXOKHXRHGJX-XQZUBTRRSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304757; PubChem:CID118169977
|
Local ready
Direct docking supported
|
|
E3L013429
BDB013429
|
US10144731, Example 190M1
CC[C@@H]1CN(Cc2cc(C(CC(=O)O)c3ccc4c(nnn4C)c3C)ccc2C)S(=O)(=O)c2ccccc2O1
|
C29H32N4O5S 548.665000 |
PSAYWSGFKCURFC-LETIRJCYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304758; PubChem:CID118170027
|
Local ready
Direct docking supported
|
|
E3L013430
BDB013430
|
US10144731, Example 44
CC[C@@H]1CN(Cc2cc(C(CC(=O)O)c3cc(OC)c4c(c3)nnn4C)ccc2C)S(=O)(=O)c2ccccc2O1
|
C29H32N4O6S 564.664000 |
CGULIBNLQTVXJS-WTQRLHSKSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304759; PubChem:CID118170220
|
Local ready
Direct docking supported
|
|
E3L013431
BDB013431
|
US10144731, Example 45
CC[C@@H]1CN(Cc2cc(C(CC(=O)O)c3cc(OC)c4c(c3)nnn4C)ccc2C)S(=O)(=O)c2cccnc2O1
|
C28H31N5O6S 565.652000 |
JJZPWGQPPUTFLQ-ZMFCMNQTSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304760; PubChem:CID118170004
|
Local ready
Direct docking supported
|
|
E3L013432
BDB013432
|
US10144731, Example 46
CCc1ccc(C(CC(=O)O)c2cccc(OC)c2)cc1CN1C[C@@H](CC)Oc2ccccc2S1(=O)=O
|
C29H33NO6S 523.651000 |
JBQFMPMORHDMHZ-RMVMEJTISA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304761; PubChem:CID118170518
|
Local ready
Direct docking supported
|
|
E3L013433
BDB013433
|
US10144731, Example 48
Cc1cccc(S(=O)(=O)N(C)Cc2cc(C(CC(=O)O)c3ccc4c(c3)nnn4C)ccc2Cl)c1
|
C25H25ClN4O4S 513.019000 |
LALJNFCDDXCGMH-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304762; PubChem:CID118169835
|
Local ready
Direct docking supported
|
|
E3L013434
BDB013434
|
US10144731, Example 50
CC(=O)Nc1cccc(S(=O)(=O)N(C)Cc2cc(C(CC(=O)O)c3ccc4c(c3)nnn4C)ccc2Cl)c1
|
C26H26ClN5O5S 556.044000 |
CCKFFZWASQCQFD-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304763; PubChem:CID118170465
|
Local ready
Direct docking supported
|
|
E3L013435
BDB013435
|
US10144731, Example 52
CN(Cc1cc(C(CC(=O)O)c2ccc3c(c2)nnn3C)ccc1Cl)S(=O)(=O)c1ccc2c(c1)OCCO2
|
C26H25ClN4O6S 557.028000 |
CPQNNJBTSHDTLZ-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304764; PubChem:CID118169845
|
Local ready
Direct docking supported
|
|
E3L013436
BDB013436
|
US10144731, Example 53
CN(Cc1cc([C@@H](CC(=O)O)c2ccc3c(c2)nnn3C)ccc1Cl)S(=O)(=O)c1ccccc1
|
C24H23ClN4O4S 498.992000 |
NICLDNFOUWEYPY-HXUWFJFHSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304765; PubChem:CID118170374
|
Local ready
Direct docking supported
|
|
E3L013437
BDB013437
|
US10144731, Example 55
Cc1ccc([C@@H](CC(=O)O)c2ccc3c(nnn3C)c2C)cc1CN(C)S(=O)(=O)c1ccccc1
|
C26H28N4O4S 492.601000 |
RZDVYTYOVMEPBY-HSZRJFAPSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304766; PubChem:CID118170217
|
Local ready
Direct docking supported
|
|
E3L013438
BDB013438
|
US10144731, Example 56
Cc1ccc([C@H](CC(=O)O)c2ccc3c(nnn3C)c2C)cc1CN(C)S(=O)(=O)c1ccccc1
|
C26H28N4O4S 492.601000 |
RZDVYTYOVMEPBY-QHCPKHFHSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304767; PubChem:CID118169976
|
Local ready
Direct docking supported
|
|
E3L013439
BDB013439
|
US10144731, Example 57
COc1cc(C(CC(=O)O)c2ccc(C)c(CN3CCOc4ccccc4S3(=O)=O)c2)cc2nnn(C)c12
|
C27H28N4O6S 536.610000 |
RTGHTXKISWZXKJ-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304768; PubChem:CID118169882
|
Local ready
Direct docking supported
|
|
E3L013440
BDB013440
|
US10144731, Example 61
COc1cc(C(CC(=O)O)c2cccc(CN3C[C@@H](C)Oc4ncccc4S3(=O)=O)c2)cc2nnn(C)c12
|
C26H27N5O6S 537.598000 |
WPLBGJOJRLUORQ-QRIPLOBPSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304769; PubChem:CID118170333
|
Local ready
Direct docking supported
|