| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L060201
BDB060201
|
BDBM50547109
COc1ccc(S(=O)(=O)N(C)c2ccc(N(C)S(=O)(=O)c3ccc(OC)cc3)c3ccccc23)cc1
|
C26H26N2O6S2 526.636000 |
YRDHRUOSFSGQHM-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50547109; PubChem:CID122194686
|
Local ready
Direct docking supported
|
|
E3L060202
BDB060202
|
BDBM50547110
COc1cc([C@@H](CC(=O)O)c2ccc(C)c(CN3CC[C@@H](C)Oc4ccccc4S3(=O)=O)c2)cc2c1nnn2C
|
C29H32N4O6S 564.664000 |
MRYIPUMZWGMXRK-XXBNENTESA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB
BindingDB:BDBM50547110
|
Local ready
Direct docking supported
|
|
E3L060203
BDB060203
|
BDBM50547111
Cc1cc(C)c(S(=O)(=O)N(CC(=O)O)c2ccccc2C)c(C)c1
|
C18H21NO4S 347.436000 |
CNIISYKYGGSPOY-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50547111; PubChem:CID138095174
|
Local ready
Direct docking supported
|
|
E3L060204
BDB060204
|
BDBM50547112
COc1cccc(N2CCc3c2cccc3N(CC(=O)O)S(=O)(=O)c2c(C)cc(C)cc2C)c1
|
C26H28N2O5S 480.586000 |
MNJJXYRHSSZOAZ-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50547112; PubChem:CID162645550
|
Local ready
Direct docking supported
|
|
E3L060205
BDB060205
|
BDBM50547113
COc1cccc(N2CCc3c2cccc3N(CC(=O)O)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1
|
C23H21N3O7S 483.502000 |
BLVBWTHRBWQKGF-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50547113; PubChem:CID162662090
|
Local ready
Direct docking supported
|
|
E3L060206
BDB060206
|
BDBM50547114
COc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc3c2CCN3c2cccc(OC)c2)cc1
|
C24H24N2O6S 468.531000 |
BJYRJVLWHJOPIK-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50547114; PubChem:CID162646851
|
Local ready
Direct docking supported
|
|
E3L060207
BDB060207
|
BDBM50547115
COc1cccc(N2CCc3c2cccc3N(CC(=O)O)S(=O)(=O)c2ccc(C)cc2)c1
|
C24H24N2O5S 452.532000 |
GHEHDAVNDZITAR-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50547115; PubChem:CID162671734
|
Local ready
Direct docking supported
|
|
E3L060208
BDB060208
|
BDBM50547116
COc1cccc(N2CCc3c2cccc3N(CC(=O)O)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1
|
C25H25N3O6S 495.557000 |
JUJAGDZOBROIKA-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50547116; PubChem:CID162648212
|
Local ready
Direct docking supported
|
|
E3L060209
BDB060209
|
BDBM50547117
COc1cccc(N2CCc3c2cccc3N(CC(=O)O)S(=O)(=O)c2ccc(F)cc2)c1
|
C23H21FN2O5S 456.495000 |
PZNGBGXWJIDBHH-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50547117; PubChem:CID162671434
|
Local ready
Direct docking supported
|
|
E3L060210
BDB060210
|
BDBM50547118
COc1cccc(-n2ccc3c(N(CC(=O)O)S(=O)(=O)c4c(C)cc(C)cc4C)cccc32)c1
|
C26H26N2O5S 478.570000 |
OCDLMMBANXRTRL-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50547118; PubChem:CID162673766
|
Local ready
Direct docking supported
|
|
E3L060211
BDB060211
|
BDBM50547119
COc1cccc(N2CCCc3c2cccc3N(CC(=O)O)S(=O)(=O)c2c(C)cc(C)cc2C)c1
|
C27H30N2O5S 494.613000 |
AJMKCDBLAAEKRA-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50547119; PubChem:CID162655578
|
Local ready
Direct docking supported
|
|
E3L060212
BDB060212
|
BDBM50547120
COc1cccc(C(=O)N2CCc3c2cccc3N(CC(=O)O)S(=O)(=O)c2c(C)cc(C)cc2C)c1
|
C27H28N2O6S 508.596000 |
RNXSSSZYGHWVCF-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50547120; PubChem:CID162673066
|
Local ready
Direct docking supported
|
|
E3L060213
BDB060213
|
BDBM50547121
COc1cccc(S(=O)(=O)N2CCc3c2cccc3N(CC(=O)O)S(=O)(=O)c2c(C)cc(C)cc2C)c1
|
C26H28N2O7S2 544.651000 |
NFVLAAXHCMQLTA-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50547121; PubChem:CID162651266
|
Local ready
Direct docking supported
|
|
E3L060214
BDB060214
|
BDBM50547122
COc1cccc(C(C(=O)O)N2CCc3c2cccc3N(CC(=O)O)S(=O)(=O)c2c(C)cc(C)cc2C)c1
|
C28H30N2O7S 538.622000 |
YCGPKRLXUWECSO-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50547122; PubChem:CID162658391
|
Local ready
Direct docking supported
|
|
E3L060215
BDB060215
|
Ac-Leu-Asp-Gln-Glu-Thr-Gly-Glu-Phe-Leu-NH2
CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O
|
C48H73N11O18 1092.171000 |
SZNAPOCSOVUOSQ-PRDVVYQQSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50547508; PubChem:CID162652290
|
Local ready
Direct docking supported
|
|
E3L060216
BDB060216
|
Ac-Leu-Asp-Ser-Glu-Thr-Gly-Glu-Phe-Leu-NH2
CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O
|
C46H70N10O18 1051.118000 |
ZKQVJGZFKDIMNY-SDMRNOOHSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50547509; PubChem:CID162652479
|
Local ready
Direct docking supported
|
|
E3L060217
BDB060217
|
Ac-Leu-Asp-Hse-Glu-Thr-Gly-Glu-Phe-Leu-NH2
CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O
|
C47H72N10O18 1065.145000 |
IMZOZDLEEHCORP-MCWAAHJHSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50547510; PubChem:CID162674025
|
Local ready
Direct docking supported
|
|
E3L060218
BDB060218
|
Ac-Leu-Asp-Lys-Glu-Thr-Gly-Glu-Phe-Leu-NH2
CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O
|
C49H77N11O17 1092.215000 |
PKVRLTUSZKHCFS-UZWIGKRMSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50547511; PubChem:CID162667713
|
Local ready
Direct docking supported
|
|
E3L060219
BDB060219
|
Ac-Leu-Asp-Ala-Glu-Thr-Gly-Glu-Phe-Leu-NH2
CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O
|
C46H70N10O17 1035.119000 |
RBGCYLSAFPZIHP-BMXXHXMESA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50547512; PubChem:CID162643432
|
Local ready
Direct docking supported
|
|
E3L060220
BDB060220
|
Ac-Leu-Asp-Val-Glu-Thr-Gly-Glu-Phe-Leu-NH2
CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O)C(C)C
|
C48H74N10O17 1063.173000 |
BKYXRWQBSXDEAQ-XXNJHPRQSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50547513; PubChem:CID162651788
|
Local ready
Direct docking supported
|