| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L013561
BDB013561
|
US10144731, Example 204
CC[C@@H]1CN(Cc2cc(C(CCc3cn(C(C)C)nn3)CC(=O)O)ccc2C)S(=O)(=O)c2ccccc2O1
|
C28H36N4O5S 540.686000 |
JBWZTQKHRVJEFM-NRWPOFLRSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304899; PubChem:CID118170074
|
Local ready
Direct docking supported
|
|
E3L013562
BDB013562
|
US10144731, Example 205
CCCn1cc(CCC(CC(=O)O)c2ccc(C)c(CN3C[C@@H](CC)Oc4ccncc4S3(=O)=O)c2)nn1
|
C27H35N5O5S 541.674000 |
YHMSHUNSVHSTSR-MQNHUJCZSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304900; PubChem:CID118170571
|
Local ready
Direct docking supported
|
|
E3L013563
BDB013563
|
US10144731, Example 206
CC[C@@H]1CN(Cc2cc(C(CCc3cn(C(C)C)nn3)CC(=O)O)ccc2C)S(=O)(=O)c2cnccc2O1
|
C27H35N5O5S 541.674000 |
OCRPAIWDRJKOTN-MQNHUJCZSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304901; PubChem:CID118170617
|
Local ready
Direct docking supported
|
|
E3L013564
BDB013564
|
US10144731, Example 207
CC[C@@H]1CN(Cc2cc(C(CC(=O)O)CC(C)c3cn(CC)nn3)ccc2C)S(=O)(=O)c2ccccc2O1
|
C28H36N4O5S 540.686000 |
BKKIQOWFHQPZEE-LLAFXHEGSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304902; PubChem:CID118169840
|
Local ready
Direct docking supported
|
|
E3L013565
BDB013565
|
US10144731, Example 209
Cc1ccc(C(CC(=O)O)c2ccc3c(nnn3C)c2C)cc1CN1CCCc2ccccc2S1(=O)=O
|
C28H30N4O4S 518.639000 |
QWBZFCSPMMQPPO-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304905; PubChem:CID118169769
|
Local ready
Direct docking supported
|
|
E3L013566
BDB013566
|
US10144731, Example 210
Cc1ccc(C(CC(=O)O)c2ccc3c(nnn3C)c2C)cc1CN1CC(C)Cc2ccccc2S1(=O)=O
|
C29H32N4O4S 532.666000 |
BIHHECVWYUSKTL-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304906; PubChem:CID118170885
|
Local ready
Direct docking supported
|
|
E3L013567
BDB013567
|
US10144731, Example 211
Cc1ccc(C(CC(=O)O)c2ccc3c(nnn3C)c2C)cc1CN1C[C@@H](C)Oc2cccc(F)c2S1(=O)=O
|
C28H29FN4O5S 552.628000 |
JKDFOYSIKNRLTR-PLEWWHCXSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304907; PubChem:CID118170032
|
Local ready
Direct docking supported
|
|
E3L013568
BDB013568
|
US10144731, Example 212
COc1cc([C@@H](CC(=O)O)c2ccc(C)c(CN3C[C@H](C)Cc4ccccc4S3(=O)=O)c2)cc2nnn(C)c12
|
C29H32N4O5S 548.665000 |
HSPMCXSTLBKXFP-KOSHJBKYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304908; PubChem:CID118170319
|
Local ready
Direct docking supported
|
|
E3L013569
BDB013569
|
US10144731, Example 213
COc1cc([C@@H](CC(=O)O)c2ccc(C)c(CN3C[C@@H](C)Cc4ccccc4S3(=O)=O)c2)cc2nnn(C)c12
|
C29H32N4O5S 548.665000 |
HSPMCXSTLBKXFP-UUOWRZLLSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304909; PubChem:CID118170404
|
Local ready
Direct docking supported
|
|
E3L013570
BDB013570
|
US10144731, Example 214
Cc1ccc(C(CC(=O)O)c2ccc(C#N)cc2C)cc1CN1CC(C)Cc2ccccc2S1(=O)=O
|
C29H30N2O4S 502.636000 |
QXXYHMOQLMDKMF-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304910; PubChem:CID118170133
|
Local ready
Direct docking supported
|
|
E3L013571
BDB013571
|
US10144731, Example 215
Cc1ccc(C(CC(=O)O)c2ccc(C#N)cc2C)cc1CN1CC(C)Cc2cc(F)ccc2S1(=O)=O
|
C29H29FN2O4S 520.626000 |
HBNAUONLWDFYEA-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304911; PubChem:CID118170263
|
Local ready
Direct docking supported
|
|
E3L013572
BDB013572
|
US10144731, Example 216
COc1ccc2c(c1)CC(C)CN(Cc1cc(C(CC(=O)O)c3ccc(C#N)cc3C)ccc1C)S2(=O)=O
|
C30H32N2O5S 532.662000 |
GIPUEKGFFDJJJJ-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304912; PubChem:CID122653261
|
Local ready
Direct docking supported
|
|
E3L013573
BDB013573
|
US10144731, Example 217
Cc1ccc(C(CC(=O)O)c2ccc(C#N)cc2C)cc1CN1CC(C)Cc2cc(C(F)(F)F)ccc2S1(=O)=O
|
C30H29F3N2O4S 570.633000 |
IARGPHHSZQXOSH-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304913; PubChem:CID122653400
|
Local ready
Direct docking supported
|
|
E3L013574
BDB013574
|
US10144731, Example 218
Cc1ccc(C(CC(=O)O)c2ccc(C#N)cc2C)cc1CN1CC(C)Cc2cc(OC(F)(F)F)ccc2S1(=O)=O
|
C30H29F3N2O5S 586.632000 |
YEJSAJHUMWAUBV-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304914; PubChem:CID122653290
|
Local ready
Direct docking supported
|
|
E3L013575
BDB013575
|
US10144731, Example 219
CC[C@@H]1CN(Cc2cc(C(CC(=O)O)c3ccc(C#N)cc3OC)ccc2C)S(=O)(=O)c2ccccc2O1
|
C29H30N2O6S 534.634000 |
UANMOFVJIKFJJT-XQZUBTRRSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304915; PubChem:CID118170060
|
Local ready
Direct docking supported
|
|
E3L013576
BDB013576
|
US10144731, Example 220
CC[C@@H]1CN(Cc2cc(C(CC(=O)O)c3ccc(C#N)c(OC)c3)ccc2C)S(=O)(=O)c2ccccc2O1
|
C29H30N2O6S 534.634000 |
HZDUCHHJWUKSCD-IKOFQBKESA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304916; PubChem:CID118170248
|
Local ready
Direct docking supported
|
|
E3L013577
BDB013577
|
US10144731, Example 221
CC[C@@H]1CN(Cc2cc(C(CC(=O)O)c3ccc(C#N)cc3F)ccc2C)S(=O)(=O)c2ccccc2O1
|
C28H27FN2O5S 522.598000 |
FVNHWMOCBZQTBI-LETIRJCYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304917; PubChem:CID118170710
|
Local ready
Direct docking supported
|
|
E3L013578
BDB013578
|
US10144731, Example 222
CCn1cc(CCC(CC(=O)O)c2ccc(C)c(CN3C[C@@H](C)Cc4ccccc4S3(=O)=O)c2)nn1
|
C27H34N4O4S 510.660000 |
NZGGZISVMMEMJX-YDNXMHBPSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304918; PubChem:CID118170380
|
Local ready
Direct docking supported
|
|
E3L013579
BDB013579
|
US10144731, Example 224
CCn1cc(CCC(CC(=O)O)c2ccc(C)c(CN3CCCc4ccccc4S3(=O)=O)c2)nn1
|
C26H32N4O4S 496.633000 |
FROVAICQVUYMQU-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304920; PubChem:CID118188921
|
Local ready
Direct docking supported
|
|
E3L013580
BDB013580
|
US10144731, Example 225
CC[C@@H]1CN(Cc2cc(C(CCc3cn(CC)nn3)CC(=O)O)ccc2C)S(=O)(=O)c2cccnc2O1
|
C26H33N5O5S 527.647000 |
CAJHFKZCUUGUSQ-GWQXNCQPSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304921; PubChem:CID118188834
|
Local ready
Direct docking supported
|