| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L061641
BDB061641
|
BDBM50584501
Cc1cc(Cn2ncn(-c3ccccc3)c2=O)cc(C)c1OC(C)(C)C(=O)O
|
C21H23N3O4 381.432000 |
OTIZNZQIOQSYBC-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50584501; PubChem:CID166631988
|
Local ready
Direct docking supported
|
|
E3L061642
BDB061642
|
BDBM50584502
CC(C)(Oc1ccc(Cn2ncn(-c3ccc(C(F)(F)F)cc3)c2=O)cc1)C(=O)O
|
C20H18F3N3O4 421.375000 |
OFKHUWKCVAFOHU-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50584502; PubChem:CID166634981
|
Local ready
Direct docking supported
|
|
E3L061643
BDB061643
|
BDBM50584503
Cc1cc(Cn2ncn(-c3ccc(S(C)(=O)=O)cc3)c2=O)cc(C)c1OC(C)(C)C(=O)O
|
C22H25N3O6S 459.524000 |
SVCDFQBGIFGUEG-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50584503; PubChem:CID166630430
|
Local ready
Direct docking supported
|
|
E3L061644
BDB061644
|
BDBM50584504
Cc1cc(-n2ncn(-c3ccc(C(F)(F)F)cc3)c2=O)cc(C)c1OC(C)(C)C(=O)O
|
C21H20F3N3O4 435.402000 |
AZAUWYRRCDGTFI-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50584504; PubChem:CID166633857
|
Local ready
Direct docking supported
|
|
E3L061645
BDB061645
|
BDBM50584505
Cc1cc(Cn2ncn(-c3ccccc3C(F)(F)F)c2=O)cc(C)c1OC(C)(C)C(=O)O
|
C22H22F3N3O4 449.429000 |
AICXTPKDVHJHCO-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50584505; PubChem:CID166630625
|
Local ready
Direct docking supported
|
|
E3L061646
BDB061646
|
BDBM50584506
Cc1cc(Cn2ncn(-c3ccc(C#N)cc3)c2=O)cc(C)c1OC(C)(C)C(=O)O
|
C22H22N4O4 406.442000 |
QVTCWNJEQPGOOA-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50584506; PubChem:CID166626367
|
Local ready
Direct docking supported
|
|
E3L061647
BDB061647
|
Bufalin
C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)CC[C@]12O
|
C24H34O4 386.532000 |
QEEBRPGZBVVINN-BMPKRDENSA-N | Q96JP5 | E3 ubiquitin-protein ligase ZFP91 |
BindingDB, PubChem
BindingDB:BDBM50584761; PubChem:CID9547215
|
Local ready
Direct docking supported
|
|
E3L061648
BDB061648
|
Keap1-Nrf2-IN-6
CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1COC(=O)c2cccc(-c3ccc(C(=O)O)cc3)c2CSC[C@H](C(=O)N(C)C)NC1=O
|
C30H34N4O8S 610.689000 |
RNGXYARCEQWNBD-SDHSZQHLSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50584822; PubChem:CID162678570
|
Local ready
Direct docking supported
|
|
E3L061649
BDB061649
|
BDBM50584823
CN(C)C(=O)[C@H]1CSCc2ccccc2C(=O)OC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)CCC(=O)O)C(=O)N1
|
C25H32N4O8S 548.618000 |
GNRPOAJATSFVLW-QRVBRYPASA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB
BindingDB:BDBM50584823
|
Local ready
Direct docking supported
|
|
E3L061650
BDB061650
|
BDBM50584824
CNC(=O)CCC(=O)N1CCC[C@H]1C(=O)N[C@@H]1COC(=O)c2ccccc2CSC[C@H](C(=O)N(C)C)NC1=O
|
C26H35N5O7S 561.661000 |
DXVZHGSXTJTODF-AQNXPRMDSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB
BindingDB:BDBM50584824
|
Local ready
Direct docking supported
|
|
E3L061651
BDB061651
|
BDBM50584825
CNC(=O)/C=C/C(=O)N1CCC[C@H]1C(=O)N[C@@H]1COC(=O)c2ccccc2CSC[C@H](C(=O)N(C)C)NC1=O
|
C26H33N5O7S 559.645000 |
KCNRDLHVEGVZPR-XAERSFSZSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB
BindingDB:BDBM50584825
|
Local ready
Direct docking supported
|
|
E3L061652
BDB061652
|
BDBM50584826
CN(C)C(=O)[C@H]1CSCc2ccccc2C(=O)OC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)c2sccc2C#N)C(=O)N1
|
C27H29N5O6S2 583.692000 |
DATATLJPHUXZIH-NJYVYQBISA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB
BindingDB:BDBM50584826
|
Local ready
Direct docking supported
|
|
E3L061653
BDB061653
|
BDBM50584827
CN(C)C(=O)[C@H]1CSCc2ccccc2C(=O)OC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)c2ccon2)C(=O)N1
|
C25H29N5O7S 543.602000 |
SAMGQUFNHXWKFR-AQNXPRMDSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB
BindingDB:BDBM50584827
|
Local ready
Direct docking supported
|
|
E3L061654
BDB061654
|
BDBM50584828
CN(C)C(=O)[C@H]1CSCc2ccccc2C(=O)OC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)NC(=O)c2ccccc2)C(=O)N1
|
C29H33N5O7S 595.678000 |
CQSVVCGAAJLSRP-ZLNRFVROSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50584828; PubChem:CID166635827
|
Local ready
Direct docking supported
|
|
E3L061655
BDB061655
|
BDBM50584829
COc1ccccc1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H]1COC(=O)c2ccccc2CSC[C@H](C(=O)N(C)C)NC1=O
|
C31H37N5O8S 639.731000 |
BFBSWUQZJULHKI-SMIHKQSGSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB
BindingDB:BDBM50584829
|
Local ready
Direct docking supported
|
|
E3L061656
BDB061656
|
BDBM50584830
CN(C)C(=O)[C@H]1CSCc2ccccc2C(=O)OC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)c2cc3cccnc3s2)C(=O)N1
|
C29H31N5O6S2 609.730000 |
TUWXKXGZYPHOGW-VSKRKVRLSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB
BindingDB:BDBM50584830
|
Local ready
Direct docking supported
|
|
E3L061657
BDB061657
|
BDBM50584831
CN(C)C(=O)[C@H]1CSCc2ccccc2C(=O)OC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)CN2C(=O)c3ccccc3C2=O)C(=O)N1
|
C31H33N5O8S 635.699000 |
CEDWIMQXRUOBIF-SMIHKQSGSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB
BindingDB:BDBM50584831
|
Local ready
Direct docking supported
|
|
E3L061658
BDB061658
|
BDBM50584832
CN(C)C(=O)[C@H]1CSCc2ccccc2C(=O)OC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)Cn2sc3ccccc3c2=O)C(=O)N1
|
C30H33N5O7S2 639.756000 |
XOGZDQLUXYUUJN-ZLNRFVROSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB
BindingDB:BDBM50584832
|
Local ready
Direct docking supported
|
|
E3L061659
BDB061659
|
BDBM50584833
CN(C)C(=O)[C@H]1CSCc2ccccc2C(=O)OC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)CN2C(=O)NC(C)(c3ccccc3)C2=O)C(=O)N1
|
C33H38N6O8S 678.768000 |
YPNFRFJAXYABQW-PSWDXXOQSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB
BindingDB:BDBM50584833
|
Local ready
Direct docking supported
|
|
E3L061660
BDB061660
|
BDBM50584834
CN(C)C(=O)[C@H]1CSCc2ccccc2C(=O)OC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)c2ncn(-c3ccccc3)n2)C(=O)N1
|
C30H33N7O6S 619.704000 |
TUDKRPAIEWWPJT-SMIHKQSGSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB
BindingDB:BDBM50584834
|
Local ready
Direct docking supported
|