| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L054021
BDB054021
|
BDBM50361353
CC(C)CCS(=O)(=O)NC(=O)CCc1cc(OC(C)C)nn1Cc1ccc(Cl)cc1Cl
|
C21H29Cl2N3O4S 490.453000 |
CBRLRQIQLQUVSP-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50361353; PubChem:CID57396780
|
Local ready
Direct docking supported
|
|
E3L054022
BDB054022
|
BDBM50361354
CCCCCCS(=O)(=O)NC(=O)CCc1cc(OC(C)C)nn1Cc1ccc(Cl)cc1Cl
|
C22H31Cl2N3O4S 504.480000 |
YGTZNMOXYYWPDF-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50361354; PubChem:CID57396779
|
Local ready
Direct docking supported
|
|
E3L054023
BDB054023
|
BDBM50361355
CCCCS(=O)(=O)NC(=O)CCc1cc(OC(C)C)nn1Cc1ccc(Cl)cc1Cl
|
C20H27Cl2N3O4S 476.426000 |
OFPPFXIXVIAMEH-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50361355; PubChem:CID57400212
|
Local ready
Direct docking supported
|
|
E3L054024
BDB054024
|
BDBM50361356
CCCCCS(=O)(=O)NC(=O)CCc1cc(C(C)C)nn1Cc1ccc(C(F)(F)F)cc1Cl
|
C22H29ClF3N3O3S 508.006000 |
GTGFLPKTLRFYHB-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50361356; PubChem:CID57398547
|
Local ready
Direct docking supported
|
|
E3L054025
BDB054025
|
BDBM50361357
CCCS(=O)(=O)NC(=O)CCc1cc(OC(C)C)nn1Cc1ccc(Cl)cc1Cl
|
C19H25Cl2N3O4S 462.399000 |
WLIUJNUKZIEWRX-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50361357; PubChem:CID57396784
|
Local ready
Direct docking supported
|
|
E3L054026
BDB054026
|
BDBM50361358
CC(C)Oc1cc(CCC(=O)NS(C)(=O)=O)n(Cc2ccc(Cl)cc2Cl)n1
|
C17H21Cl2N3O4S 434.345000 |
MQLDILMWGJRVTQ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50361358; PubChem:CID57400215
|
Local ready
Direct docking supported
|
|
E3L054027
BDB054027
|
BDBM50361359
CCCCCS(=O)(=O)NC(=O)CCCCc1cc(OCCCC)nn1Cc1ccc(Cl)cc1Cl
|
C24H35Cl2N3O4S 532.534000 |
XSBHQOLNPIUSPQ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50361359; PubChem:CID57402016
|
Local ready
Direct docking supported
|
|
E3L054028
BDB054028
|
BDBM50361360
CCCCCS(=O)(=O)NC(=O)CCCc1cc(OCCCC)nn1Cc1ccc(Cl)cc1Cl
|
C23H33Cl2N3O4S 518.507000 |
QPVACQFVYUNONW-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50361360; PubChem:CID57403763
|
Local ready
Direct docking supported
|
|
E3L054029
BDB054029
|
BDBM50361361
CCCCCS(=O)(=O)NC(=O)Cc1cc(OCCCC)nn1Cc1ccc(Cl)cc1Cl
|
C21H29Cl2N3O4S 490.453000 |
AOHCLZNLEYPOIC-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50361361; PubChem:CID57402225
|
Local ready
Direct docking supported
|
|
E3L054030
BDB054030
|
BDBM50361362
CC(C)Oc1cc(CCC(=O)NS(=O)(=O)Cc2ccccc2)n(Cc2ccc(Cl)cc2Cl)n1
|
C23H25Cl2N3O4S 510.443000 |
YRZRNPDWVWNCIN-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50361362; PubChem:CID57396781
|
Local ready
Direct docking supported
|
|
E3L054031
BDB054031
|
BDBM50361363
CCCCCS(=O)(=O)NC(=O)CCc1cc(OC(C)C)nn1Cc1ccc(Cl)cc1Cl
|
C21H29Cl2N3O4S 490.453000 |
BIXHRPZRUUZWDP-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50361363; PubChem:CID57393295
|
Local ready
Direct docking supported
|
|
E3L054032
BDB054032
|
BDBM50361364
CC(C)Oc1cc(CCC(=O)O)n(Cc2ccc(Cl)cc2Cl)n1
|
C16H18Cl2N2O3 357.237000 |
FBAMKBHEKHBEID-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50361364; PubChem:CID57395027
|
Local ready
Direct docking supported
|
|
E3L054033
BDB054033
|
BDBM50361365
COc1cccc(CC(=O)O)c1OCCCc1cc(OC(C)C)nn1Cc1ccc(Cl)cc1Cl
|
C25H28Cl2N2O5 507.414000 |
KEUHGGAIQSDJNM-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50361365; PubChem:CID11555240
|
Local ready
Direct docking supported
|
|
E3L054034
BDB054034
|
Auraptene
CC(C)=CCC/C(C)=C/COc1ccc2ccc(=O)oc2c1
|
C19H22O3 298.382000 |
RSDDHGSKLOSQFK-RVDMUPIBSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50361373; PubChem:CID1550607
|
Local ready
Direct docking supported
|
|
E3L054035
BDB054035
|
BDBM50361464
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCC(N)=O)C(=O)Cn1cnc2c(=O)[nH]c(N)nc21)C(=O)Cn1cnc2c(N)ncnc21)C(=O)Cn1ccc(N)nc1=O)C(=O)Cn1cnc2c(N)ncnc21)C(=O)Cn1cc(C)c(=O)[nH]c1=O)C(=O)Cn1ccc(N)nc1=O)C(=O)Cn1ccc(N)nc1=O
|
C107H151N51O29S 2647.780000 |
FXIGVVYGSGWTFL-UHECJQLQSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50361464
|
Local ready
Direct docking supported
|
|
E3L054036
BDB054036
|
BDBM50361465
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](C)N)C(=O)NCCOCCOCC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCCN(CC(=O)NCC(N)=O)C(=O)Cn1cnc2c(=O)[nH]c(N)nc21)C(=O)Cn1cnc2c(N)ncnc21)C(=O)Cn1ccc(N)nc1=O)C(=O)Cn1cnc2c(N)ncnc21)C(=O)Cn1cc(C)c(=O)[nH]c1=O)C(=O)Cn1ccc(N)nc1=O)C(=O)Cn1ccc(N)nc1=O
|
C99H137N47O28S 2465.553000 |
IBTZHSKSGKBXLL-IHAWRCMTSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50361465
|
Local ready
Direct docking supported
|
|
E3L054037
BDB054037
|
H-Ala-Cys-Pro-Ile-OH
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](C)N)C(=O)O
|
C17H30N4O5S 402.517000 |
YBJUUCZTCGZJNY-VLJOUNFMSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50361466; PubChem:CID57397789
|
Local ready
Direct docking supported
|
|
E3L054038
BDB054038
|
BDBM50361642
CC(C)n1cc(C(=O)c2cncc(N[C@@H]3CCN(C=O)[C@@H]3c3ccc(F)cc3)n2)c2c(N)ncnc21
|
C25H25FN8O2 488.527000 |
TZOLUHQWLXJGBH-XMSQKQJNSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50361642; PubChem:CID56834890
|
Local ready
Direct docking supported
|
|
E3L054039
BDB054039
|
BDBM50361643
CC(=O)N1CC[C@@H](Nc2cncc(C(=O)c3cn(C(C)C)c4ncnc(N)c34)n2)[C@H]1c1ccc(F)cc1
|
C26H27FN8O2 502.554000 |
PLZWVXKEQYGKTJ-AUSIDOKSSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50361643; PubChem:CID56834891
|
Local ready
Direct docking supported
|
|
E3L054040
BDB054040
|
BDBM50361644
CC(=O)N1CC[C@@H](Nc2cncc(C(=O)c3cn(C(C)C)c4ncnc(N)c34)n2)[C@H]1c1ccccc1
|
C26H28N8O2 484.564000 |
WAJYOJVNNBMVIM-AUSIDOKSSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50361644; PubChem:CID45139234
|
Local ready
Direct docking supported
|