| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L013621
BDB013621
|
US10144731, Example 268
CC[C@@H]1CN(Cc2cc(C(c3ccc4c(nnn4C)c3C)C(C)(C)C(=O)O)ccc2C)S(=O)(=O)c2ccccc2O1
|
C31H36N4O5S 576.719000 |
JXCOERQLGLXVIK-YFIOFSHDSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304964; PubChem:CID118169900
|
Local ready
Direct docking supported
|
|
E3L013622
BDB013622
|
US10144731, Example 269
CC[C@@H]1CN(Cc2cc([C@@H](c3ccc4c(nnn4C)c3C)C(C)(C)C(=O)O)ccc2C)S(=O)(=O)c2ccccc2O1
|
C31H36N4O5S 576.719000 |
JXCOERQLGLXVIK-LXFBAYGMSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304965; PubChem:CID118170079
|
Local ready
Direct docking supported
|
|
E3L013623
BDB013623
|
US10144731, Example 270
CC[C@@H]1CN(Cc2cc([C@H](c3ccc4c(nnn4C)c3C)C(C)(C)C(=O)O)ccc2C)S(=O)(=O)c2ccccc2O1
|
C31H36N4O5S 576.719000 |
JXCOERQLGLXVIK-QDPGVEIFSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304966; PubChem:CID118170505
|
Local ready
Direct docking supported
|
|
E3L013624
BDB013624
|
US10144731, Example 7
COc1ncccc1S(=O)(=O)N(CCO)Cc1cc(C(CC(=O)O)c2cc(OC)c3c(c2)nnn3C)ccc1C
|
C27H31N5O7S 569.640000 |
AEWQYTMJBRTVCM-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304967; PubChem:CID118170747
|
Local ready
Direct docking supported
|
|
E3L013625
BDB013625
|
US10144731, Example 9
COc1ncccc1S(=O)(=O)N(CCO)Cc1cc(C(CC(=O)O)c2ccc3c(nnn3C)c2C)ccc1C
|
C27H31N5O6S 553.641000 |
SFUSXTAJJNOGFY-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304968; PubChem:CID118170033
|
Local ready
Direct docking supported
|
|
E3L013626
BDB013626
|
US10144731, Example 47
Cc1ccc(S(=O)(=O)N(C)Cc2cc(C(CC(=O)O)c3ccc4c(c3)nnn4C)ccc2Cl)cc1
|
C25H25ClN4O4S 513.019000 |
FKGLABWENBSNRH-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304969; PubChem:CID118170716
|
Local ready
Direct docking supported
|
|
E3L013627
BDB013627
|
US10144731, Example 51
CN(Cc1cc(C(CC(=O)O)c2ccc3c(c2)nnn3C)ccc1Cl)S(=O)(=O)C1CCCCC1
|
C24H29ClN4O4S 505.040000 |
FFAANKRCKMNWSX-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304970; PubChem:CID118170851
|
Local ready
Direct docking supported
|
|
E3L013628
BDB013628
|
US10144731, Example 58
Cc1ccc(C(CC(=O)O)c2ccn3nnnc3c2)cc1CN1CCOc2ccccc2S1(=O)=O
|
C24H23N5O5S 493.545000 |
SRMMWYRXUWFSNL-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304972; PubChem:CID118170439
|
Local ready
Direct docking supported
|
|
E3L013629
BDB013629
|
US10144731, Example 59
COc1cc(C(CC(=O)O)c2ccc(C)c(CN3CCOCCS3(=O)=O)c2)cc2nnn(C)c12
|
C23H28N4O6S 488.566000 |
DLUHYYWDKTVUNT-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304973; PubChem:CID118170107
|
Local ready
Direct docking supported
|
|
E3L013630
BDB013630
|
US10144731, Example 70
Cc1ccc(C(CC(=O)O)c2ccc3c(nnn3C)c2C)cc1CN1CCOc2ccncc2S1(=O)=O
|
C26H27N5O5S 521.599000 |
KHKRJIKQDOFQIX-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304974; PubChem:CID118170326
|
Local ready
Direct docking supported
|
|
E3L013631
BDB013631
|
US10144731, Example 71
Cc1ccc(C(CC(=O)O)c2ccc3c(nnn3C)c2C)cc1CN1CCN(C)c2ccncc2S1(=O)=O
|
C27H30N6O4S 534.642000 |
OLHWMXBKPFRTNX-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304975; PubChem:CID118170120
|
Local ready
Direct docking supported
|
|
E3L013632
BDB013632
|
US10144731, Example 80
COc1cc(OC)cc(C(CC(=O)O)c2ccc(C)c(CN3C[C@@H](C)Oc4ccccc4S3(=O)=O)c2)c1
|
C28H31NO7S 525.623000 |
OCGMVPCBHCZPCM-OEPVSBQMSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304976; PubChem:CID118170805
|
Local ready
Direct docking supported
|
|
E3L013633
BDB013633
|
US10144731, Example 82
COc1cc(OC(F)(F)F)cc(C(CC(=O)O)c2ccc(C)c(CN3C[C@@H](C)Oc4ccccc4S3(=O)=O)c2)c1
|
C28H28F3NO7S 579.593000 |
QYFOHDFHKGTAAT-QFADGXAASA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304977; PubChem:CID118170468
|
Local ready
Direct docking supported
|
|
E3L013634
BDB013634
|
US10144731, Example 85
C[C@@H]1CN(Cc2cc(C(CC(=O)O)c3ccn(C)c(=O)c3)ccc2Cl)S(=O)(=O)c2ccccc2O1
|
C25H25ClN2O6S 517.003000 |
YZJHIJHDIPVFFH-QRIPLOBPSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304978; PubChem:CID118170221
|
Local ready
Direct docking supported
|
|
E3L013635
BDB013635
|
US10144731, Example 86
Cc1ccc(C(CC(=O)O)c2ccn(C)c(=O)c2)cc1CN1CCN(C)c2ccccc2S1(=O)=O
|
C26H29N3O5S 495.601000 |
BTPDPSLUOKOLFC-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304979; PubChem:CID118170619
|
Local ready
Direct docking supported
|
|
E3L013636
BDB013636
|
US10144731, Example 137
CCCN(Cc1cc(C(CC(=O)OC)c2ccc3c(c2)nnn3C)ccc1Cl)S(=O)(=O)c1cccnc1
|
C26H28ClN5O4S 542.061000 |
WWDNVVZHWDONPM-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304981; PubChem:CID118169934
|
Local ready
Direct docking supported
|
|
E3L013637
BDB013637
|
US10144731, Example 138
CCCN(Cc1cc(C(CC(=O)O)c2ccc3c(c2)nnn3C)ccc1Cl)S(=O)(=O)c1cccnc1
|
C25H26ClN5O4S 528.034000 |
FRBDZDVSXHHBHW-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304982; PubChem:CID118170239
|
Local ready
Direct docking supported
|
|
E3L013638
BDB013638
|
US10144731, Example 139
CCN(Cc1cc(C(CC(=O)O)c2ccc3c(c2)nnn3C)ccc1Cl)S(=O)(=O)c1cccnc1
|
C24H24ClN5O4S 514.007000 |
XDOGAMNAMXXKOO-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304983; PubChem:CID118169860
|
Local ready
Direct docking supported
|
|
E3L013639
BDB013639
|
US10144731, Example 140
CN(Cc1cc(C(CC(=O)O)c2ccc3c(c2)nnn3C)ccc1Cl)S(=O)(=O)c1cccnc1
|
C23H22ClN5O4S 499.980000 |
MFYPHSBKCCZZFC-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304984; PubChem:CID118170752
|
Local ready
Direct docking supported
|
|
E3L013640
BDB013640
|
US10144731, Example 141
Cc1c(S(=O)(=O)N(C)Cc2cc(C(CC(=O)O)c3ccc4c(c3)nnn4C)ccc2Cl)cnn1C
|
C23H25ClN6O4S 517.011000 |
SRPXGGSRYJJWSO-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM304985; PubChem:CID118170531
|
Local ready
Direct docking supported
|