| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L013521
BDB013521
|
US10144731, Example 161
COc1cnc(C)c(C(CC(=O)O)c2ccc(C)c(CN3C[C@@H](C)Oc4ccccc4S3(=O)=O)c2)c1
|
C27H30N2O6S 510.612000 |
RRSZSRNHVNNEPA-QFADGXAASA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304853; PubChem:CID118169812
|
Local ready
Direct docking supported
|
|
E3L013522
BDB013522
|
BDBM304854
Cc1ccccc1CCC(CC(=O)O)c1ccc(C)c(CN2C[C@@H](C)Oc3ccccc3S2(=O)=O)c1
|
C29H33NO5S 507.652000 |
BBAQYZLFACJTEU-UFUCKMQHSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304854; PubChem:CID118170697
|
Local ready
Direct docking supported
|
|
E3L013523
BDB013523
|
US10144731, Example 163
CCn1cnc(C(CC(=O)O)c2ccc(C)c(CN3C[C@@H](C)Oc4ccccc4S3(=O)=O)c2)c1
|
C25H29N3O5S 483.590000 |
JSTFODLCAFQDAZ-ITUIMRKVSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304855; PubChem:CID118170556
|
Local ready
Direct docking supported
|
|
E3L013524
BDB013524
|
US10144731, Example 164
CCn1cc(CCC(CC(=O)O)c2ccc(C)c(CN3C[C@@H](C)Oc4ccccc4S3(=O)=O)c2)cn1
|
C27H33N3O5S 511.644000 |
KEWXNRYLPLVBKW-PPUHSXQSSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304856; PubChem:CID118170206
|
Local ready
Direct docking supported
|
|
E3L013525
BDB013525
|
US10144731, Example 165
COCCCC(CC(=O)O)c1ccc(C)c(CN2C[C@@H](C)Oc3ccccc3S2(=O)=O)c1
|
C24H31NO6S 461.580000 |
UGALCWYPMZIMJQ-MRTLOADZSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304857; PubChem:CID118170410
|
Local ready
Direct docking supported
|
|
E3L013526
BDB013526
|
US10144731, Example 166
Cc1ccc(C(CC(=O)O)c2ccc3c(c2)nnn3C)cc1CN1CC(C)Cc2cc(CCCNC(=O)OC(C)(C)C)ccc2S1(=O)=O
|
C36H45N5O6S 675.852000 |
QVAJEJIFGDBUHQ-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304858; PubChem:CID118170543
|
Local ready
Direct docking supported
|
|
E3L013527
BDB013527
|
US10144731, Example 167
CC[C@@H]1CN(Cc2cc(C(CC(=O)O)c3ccc4c(c3)CCN(C)C4)ccc2C)S(=O)(=O)c2ccccc2O1
|
C31H36N2O5S 548.705000 |
HTZLVFKYHDOFIL-QXPUDEPPSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304859; PubChem:CID118170632
|
Local ready
Direct docking supported
|
|
E3L013528
BDB013528
|
US10144731, Example 168
CCn1cnc(CCC(CC(=O)O)c2ccc(C)c(CN3C[C@@H](C)Oc4ccccc4S3(=O)=O)c2)c1
|
C27H33N3O5S 511.644000 |
NMVOOHUGPIZJBG-PSDZMVHGSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304860; PubChem:CID118170528
|
Local ready
Direct docking supported
|
|
E3L013529
BDB013529
|
US10144731, Example 169
Cc1ccc(C(CCc2cccnc2)CC(=O)O)cc1CN1C[C@@H](C)Oc2ccccc2S1(=O)=O
|
C27H30N2O5S 494.613000 |
GSFAKWDVAVVJHY-PPUHSXQSSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304861; PubChem:CID118170785
|
Local ready
Direct docking supported
|
|
E3L013530
BDB013530
|
US10144731, Example 171
Cc1ccc(C(CC(=O)O)c2cc(CCN(C)C)c(F)cc2C)cc1CN1C[C@@H](C)Oc2ccccc2S1(=O)=O
|
C31H37FN2O5S 568.711000 |
WQULRZZFYDPKTH-XVPAFAEQSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304863; PubChem:CID118170310
|
Local ready
Direct docking supported
|
|
E3L013531
BDB013531
|
US10144731, Example 172
CC[C@@H]1CN(Cc2cc(C(CC(=O)O)c3ccc4c(c3)CN(C)C4)ccc2C)S(=O)(=O)c2ccccc2O1
|
C30H34N2O5S 534.678000 |
PRPJMTIHQARBAD-AVJYQCBHSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304864; PubChem:CID118170067
|
Local ready
Direct docking supported
|
|
E3L013532
BDB013532
|
US10144731, Example 173
CC[C@@H]1CN(Cc2cc(C(CC(=O)O)c3cc(CCCN(C)C)c(F)cc3C)ccc2C)S(=O)(=O)c2ccccc2O1
|
C33H41FN2O5S 596.765000 |
IDWGQXZQNPNHGS-SCBLGKRXSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304865; PubChem:CID118170780
|
Local ready
Direct docking supported
|
|
E3L013533
BDB013533
|
US10144731, Example 174
Cc1ccc(C(CCC(C)C)CC(=O)O)cc1CN1C[C@@H](C)Oc2ccccc2S1(=O)=O
|
C25H33NO5S 459.608000 |
SINSEALUHHRXQF-YMBRHYMPSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304866; PubChem:CID118170490
|
Local ready
Direct docking supported
|
|
E3L013534
BDB013534
|
US10144731, Example 175
Cc1ccc(C(CC(=O)O)c2ccc3c(c2)nnn3C)cc1CN1C[C@@H](C)Oc2ccc(Cl)cc2S1(=O)=O
|
C27H27ClN4O5S 555.056000 |
JSKSTRUXUJHPPP-PLEWWHCXSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304867; PubChem:CID118170275
|
Local ready
Direct docking supported
|
|
E3L013535
BDB013535
|
US10144731, Example 176
Cc1ccc(C(CC(=O)O)c2ccc3c(c2)nnn3C)cc1CN1C[C@@H](C)Oc2ccc(C#N)cc2S1(=O)=O
|
C28H27N5O5S 545.621000 |
WMOGSKRCIKIOJQ-FKSKYRLFSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304868; PubChem:CID118169819
|
Local ready
Direct docking supported
|
|
E3L013536
BDB013536
|
US10144731, Example 177
Cc1ccc(C(CC(=O)O)c2ccc3c(c2)nnn3C)cc1CN1C[C@@H](C)Oc2ccc(C(N)=O)cc2S1(=O)=O
|
C28H29N5O6S 563.636000 |
LPMRCDNUPGZGDF-PLEWWHCXSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304869; PubChem:CID118170194
|
Local ready
Direct docking supported
|
|
E3L013537
BDB013537
|
US10144731, Example 178
CC[C@@H]1CN(Cc2cc(C(CC(=O)O)c3cc(CN(C)C)c(F)cc3C)ccc2C)S(=O)(=O)c2ccccc2O1
|
C31H37FN2O5S 568.711000 |
SPZRBRCBCSIHAO-CSMDKSQMSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304870; PubChem:CID118169787
|
Local ready
Direct docking supported
|
|
E3L013538
BDB013538
|
US10144731, Example 179
CC[C@@H]1CN(Cc2cc(C(CC(=O)O)c3cc(CCN(C)C)c(F)cc3C)ccc2C)S(=O)(=O)c2ccccc2O1
|
C32H39FN2O5S 582.738000 |
ZKSQTPIKIPUMJG-HSLSYKTRSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304871; PubChem:CID118170470
|
Local ready
Direct docking supported
|
|
E3L013539
BDB013539
|
US10144731, Example 180
CC[C@@H]1CN(Cc2cc(C(c3ccc4c(nnn4C)c3C)C(N)C(=O)O)ccc2C)S(=O)(=O)c2ccccc2O1
|
C29H33N5O5S 563.680000 |
YHTUWMPWCLKWCC-QJYLRPAKSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304872; PubChem:CID118170169
|
Local ready
Direct docking supported
|
|
E3L013540
BDB013540
|
US10144731, Example 181
Cc1ccc(C(CC(=O)O)c2ccc3c(nnn3C)c2C)cc1CN1Cc2ccccc2CCS1(=O)=O
|
C28H30N4O4S 518.639000 |
SEWYDCQSWUDUNQ-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304873; PubChem:CID118170489
|
Local ready
Direct docking supported
|