| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L013501
BDB013501
|
US10144731, Example 131
COc1cc(C(CC(=O)O)c2ccc(C(F)(F)F)c(CN3C[C@@H](C)Oc4ccccc4S3(=O)=O)c2)cc2nnn(C)c12
|
C28H27F3N4O6S 604.607000 |
MVHXCKOOPXKCMR-QRIPLOBPSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304831; PubChem:CID118170706
|
Local ready
Direct docking supported
|
|
E3L013502
BDB013502
|
US10144731, Example 132
COc1cc(C(CC(=O)O)c2ccc(C)c(CN3C[C@@H](C)Oc4ccccc4S3(=O)=O)c2)c(C)c2nnn(C)c12
|
C29H32N4O6S 564.664000 |
QVAILDBNBWBUPT-FKSKYRLFSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304832; PubChem:CID122653343
|
Local ready
Direct docking supported
|
|
E3L013503
BDB013503
|
US10144731, Example 133
CCn1ccc(C(CC(=O)O)c2ccc(C)c(CN3C[C@@H](C)Oc4ccccc4S3(=O)=O)c2)cc1=O
|
C27H30N2O6S 510.612000 |
SZRUZELXIPIZEX-HWYAHNCWSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304833; PubChem:CID118170093
|
Local ready
Direct docking supported
|
|
E3L013504
BDB013504
|
US10144731, Example 134
CCCn1ccc(C(CC(=O)O)c2ccc(C)c(CN3C[C@@H](C)Oc4ccccc4S3(=O)=O)c2)cc1=O
|
C28H32N2O6S 524.639000 |
IPCDQJRZKHHXLK-CGHJUBPDSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304834; PubChem:CID122653283
|
Local ready
Direct docking supported
|
|
E3L013505
BDB013505
|
US10144731, Example 135
Cc1ccc(C(CC(=O)O)c2cccc(=O)n2C)cc1CN1C[C@@H](C)Oc2ccccc2S1(=O)=O
|
C26H28N2O6S 496.585000 |
SMTWIJIRLUEPLY-ITUIMRKVSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304835; PubChem:CID118170210
|
Local ready
Direct docking supported
|
|
E3L013506
BDB013506
|
US10144731, Example 145
COc1cc(C(CC(=O)O)c2ccc(C)c(CN(C)S(=O)(=O)c3ccccc3)c2)cc2nnn(C)c12
|
C26H28N4O5S 508.600000 |
VVWDXVKKAYFKNL-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304837; PubChem:CID118170044
|
Local ready
Direct docking supported
|
|
E3L013507
BDB013507
|
US10144731, Example 147
CCn1nnc2c(C)c(C(CC(=O)O)c3ccc(C(F)(F)F)c(CN4C[C@@H](C)Oc5ccccc5S4(=O)=O)c3)ccc21
|
C29H29F3N4O5S 602.635000 |
UYHZTQMYFLSOSC-PLEWWHCXSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304839; PubChem:CID118170392
|
Local ready
Direct docking supported
|
|
E3L013508
BDB013508
|
US10144731, Example 148
Cc1ccc(C(Cc2nnn[nH]2)c2ccc3c(nnn3C)c2C)cc1CN1C[C@@H](C)Oc2ccccc2S1(=O)=O
|
C28H30N8O3S 558.668000 |
BQUWAECBQDXVJF-FKSKYRLFSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304840; PubChem:CID118170685
|
Local ready
Direct docking supported
|
|
E3L013509
BDB013509
|
US10144731, Example 149
Cc1ccc(C(CC(=O)O)c2ccc3c(nnn3C)c2C)cc1CN1C[C@@H](C)Oc2cccnc2S1(=O)=O
|
C27H29N5O5S 535.626000 |
WASOKHKOUNQOSK-PLEWWHCXSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304841; PubChem:CID118170661
|
Local ready
Direct docking supported
|
|
E3L013510
BDB013510
|
US10144731, Example 150
CCn1cc(CCC(CC(=O)O)c2ccc(C)c(CN3C[C@@H](C)Oc4cccnc4S3(=O)=O)c2)nn1
|
C25H31N5O5S 513.620000 |
PPMXGPZSQLHUHK-QSVWIEALSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304842; PubChem:CID118170323
|
Local ready
Direct docking supported
|
|
E3L013511
BDB013511
|
US10144731, Example 151
CCn1cc(CCC(CC(=O)O)c2ccc(C)c(CN3CC(C)Oc4ncccc4S3(=O)=O)c2)nn1
|
C25H31N5O5S 513.620000 |
HRXPLCSOQNEFRZ-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304843; PubChem:CID122660638
|
Local ready
Direct docking supported
|
|
E3L013512
BDB013512
|
US10144731, Example 152
CCn1cc(CCC(CC(=O)O)c2ccc(C)c(CN3CC(C)Cc4ccncc4S3(=O)=O)c2)nn1
|
C26H33N5O4S 511.648000 |
NVMUELBMBSCZMG-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304844; PubChem:CID118170312
|
Local ready
Direct docking supported
|
|
E3L013513
BDB013513
|
US10144731, Example 153
CCn1cc(CCC(CC(=O)O)c2ccc(C)c(CN3C[C@@H](C)Oc4cnccc4S3(=O)=O)c2)nn1
|
C25H31N5O5S 513.620000 |
GANBXEQLAOHECS-QSVWIEALSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304845; PubChem:CID118170599
|
Local ready
Direct docking supported
|
|
E3L013514
BDB013514
|
US10144731, Example 154
Cc1ccc(C(CC(=O)O)c2ccc3c(nnn3C)c2C)cc1CN1C[C@@H](C)Oc2cnccc2S1(=O)=O
|
C27H29N5O5S 535.626000 |
XGXKKQDKTWYURX-PLEWWHCXSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304846; PubChem:CID118170563
|
Local ready
Direct docking supported
|
|
E3L013515
BDB013515
|
US10144731, Example 155
COc1cc(C(CC(=O)O)c2ccc(C)c(CN3CC(C)c4ccccc4S3(=O)=O)c2)cc2nnn(C)c12
|
C28H30N4O5S 534.638000 |
CEYWUMVWUJLPTE-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304847; PubChem:CID118170315
|
Local ready
Direct docking supported
|
|
E3L013516
BDB013516
|
US10144731, Example 156
CCC1CN(Cc2cc(C(CC(=O)O)c3cc(OC)c4c(c3)nnn4C)ccc2C)S(=O)(=O)c2ccccc21
|
C29H32N4O5S 548.665000 |
IMVRDTIUXGSVRZ-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304848; PubChem:CID118170823
|
Local ready
Direct docking supported
|
|
E3L013517
BDB013517
|
US10144731, Example 157
Cc1ccc(C(CCC(=O)N(C)Cc2ccccc2)CC(=O)O)cc1CN1C[C@H](C)Oc2ccccc2S1(=O)=O
|
C31H36N2O6S 564.704000 |
VLUCKJQHVVDJRS-ZZHFZYNASA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304849; PubChem:CID118170050
|
Local ready
Direct docking supported
|
|
E3L013518
BDB013518
|
US10144731, Example 158
Cc1ccc(C(CC(=O)O)c2ccc(F)cc2C)cc1CN1CC(C)Cc2cc(CCCN(C)C)ccc2S1(=O)=O
|
C33H41FN2O4S 580.766000 |
BQKAFUSUOCKJSO-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304850; PubChem:CID118170011
|
Local ready
Direct docking supported
|
|
E3L013519
BDB013519
|
US10144731, Example 159
CNC(=O)CCC1CC(=O)O[C@H]2CN(Cc3cc1ccc3C)S(=O)(=O)c1ccccc1O2
|
C23H26N2O6S 458.536000 |
CQOQRYVBFZKAPT-VXLWULRPSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304851; PubChem:CID118188811
|
Local ready
Direct docking supported
|
|
E3L013520
BDB013520
|
US10144731, Example 160
CC[C@@H]1CN(Cc2cc(C(CC(=O)O)c3c(C)cc(F)cc3CN(C)C)ccc2C)S(=O)(=O)c2ccccc2O1
|
C31H37FN2O5S 568.711000 |
JIZILTYHXGMOFC-AVJYQCBHSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304852; PubChem:CID118170381
|
Local ready
Direct docking supported
|