| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L054061
BDB054061
|
BDBM50362967
COc1ccc2c(-n3c(=O)n(Cc4cc([C@@]5(C)OC(O)=NC5=O)ccc4Cl)c4cc(C(F)(F)F)ccc43)noc2c1
|
C27H18ClF3N4O6 586.910000 |
FEORCGDJSCLLMT-AREMUKBSSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB
BindingDB:BDBM50362967
|
Local ready
Direct docking supported
|
|
E3L054062
BDB054062
|
BDBM50362968
C[C@]1(c2cccc(Cn3c(=O)n(-c4noc5cc(Cl)ccc45)c4ccccc43)c2)OC(O)=NC1=O
|
C25H17ClN4O5 488.887000 |
GYOWFRRPKLKMDS-RUZDIDTESA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50362968; PubChem:CID11698802
|
Local ready
Direct docking supported
|
|
E3L054063
BDB054063
|
BDBM50362969
C[C@@H](Oc1cc(Cn2c(=O)n(Cc3ccc(Cl)cc3)c3ccc(C(F)(F)F)cc32)ccc1Cl)C(=O)O
|
C25H19Cl2F3N2O4 539.337000 |
XXDAGAVXKJFFJW-CQSZACIVSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50362969; PubChem:CID56925781
|
Local ready
Direct docking supported
|
|
E3L054064
BDB054064
|
BDBM50362970
C[C@@H](Oc1cc(Cn2c(=O)n(C(=O)c3ccc(Cl)cc3)c3ccc(C(F)(F)F)cc32)ccc1Cl)C(=O)O
|
C25H17Cl2F3N2O5 553.320000 |
QADHKMUZJTZANQ-CYBMUJFWSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50362970; PubChem:CID56925892
|
Local ready
Direct docking supported
|
|
E3L054065
BDB054065
|
BDBM50362971
C[C@@H](Oc1cc(Cn2c(=O)n(-c3nc4ccc(Cl)cc4s3)c3ccc(C(F)(F)F)cc32)ccc1Cl)C(=O)O
|
C25H16Cl2F3N3O4S 582.387000 |
ZCKJTXYTXCEUGV-GFCCVEGCSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50362971; PubChem:CID56925894
|
Local ready
Direct docking supported
|
|
E3L054066
BDB054066
|
BDBM50362972
Cc1cccc2c(-n3c(=O)n(Cc4ccc(Cl)c(O[C@H](C)C(=O)O)c4)c4cc(C(F)(F)F)ccc43)noc12
|
C26H19ClF3N3O5 545.901000 |
VKANZBPILNBWTC-CQSZACIVSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50362972; PubChem:CID56925896
|
Local ready
Direct docking supported
|
|
E3L054067
BDB054067
|
BDBM50362973
Cc1ccc2onc(-n3c(=O)n(Cc4ccc(Cl)c(O[C@H](C)C(=O)O)c4)c4cc(C(F)(F)F)ccc43)c2c1
|
C26H19ClF3N3O5 545.901000 |
FCNCSHGVFAKITJ-CQSZACIVSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50362973; PubChem:CID56925994
|
Local ready
Direct docking supported
|
|
E3L054068
BDB054068
|
BDBM50362974
Cc1ccc2c(-n3c(=O)n(Cc4ccc(Cl)c(O[C@H](C)C(=O)O)c4)c4cc(C(F)(F)F)ccc43)noc2c1
|
C26H19ClF3N3O5 545.901000 |
KRRJLVWNHARYEP-CQSZACIVSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50362974; PubChem:CID56925995
|
Local ready
Direct docking supported
|
|
E3L054069
BDB054069
|
BDBM50362975
C[C@@H](Oc1cc(Cn2c(=O)n(-c3noc4ccc(Cl)cc34)c3ccc(C(F)(F)F)cc32)ccc1Cl)C(=O)O
|
C25H16Cl2F3N3O5 566.319000 |
OXZWLJPDBCZRPK-GFCCVEGCSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50362975; PubChem:CID56925996
|
Local ready
Direct docking supported
|
|
E3L054070
BDB054070
|
BDBM50363167
Cn1c2c(c3ccc(Cl)c(Cl)c31)C(C#N)C1(CCNCC1)NC2=O
|
C17H16Cl2N4O 363.248000 |
OWAWOKKHZNRHGV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50363167; PubChem:CID54613583
|
Local ready
Direct docking supported
|
|
E3L054071
BDB054071
|
Zotiraciclib
CN1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1
|
C23H24N4O 372.472000 |
VXBAJLGYBMTJCY-NSCUHMNNSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM50363196; PubChem:CID16739650
|
Local ready
Direct docking supported
|
|
E3L054072
BDB054072
|
BDBM50363434
COc1cc(O)c2c(c1C(=O)NCc1cc(C)cc3ccccc13)OC1=CC(=O)C(C(C)=O)C(=O)[C@]12C
|
C29H25NO7 499.519000 |
OTCYHMBNZLVIQW-GJQLDDCUSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50363434; PubChem:CID91042884
|
Local ready
Direct docking supported
|
|
E3L054073
BDB054073
|
BDBM50363435
COCc1cc(CNC(=O)c2c(OC)cc(O)c3c2OC2=CC(=O)C(C(C)=O)C(=O)[C@]23C)c2ccccc2c1
|
C30H27NO8 529.545000 |
ZNRXELADCRGVAX-BXFARTRRSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50363435; PubChem:CID91135915
|
Local ready
Direct docking supported
|
|
E3L054074
BDB054074
|
BDBM50363436
COc1cc(O)c2c(c1C(=O)NCc1cc(OC(C)=O)cc3ccccc13)OC1=CC(=O)C(C(C)=O)C(=O)[C@]12C
|
C30H25NO9 543.528000 |
RQXUJVLGPIGWRC-BXFARTRRSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50363436; PubChem:CID91378697
|
Local ready
Direct docking supported
|
|
E3L054075
BDB054075
|
BDBM50363437
COc1cc(O)c2c(c1C(=O)NCc1cc(O)cc3ccccc13)OC1=CC(=O)C(C(C)=O)C(=O)[C@]12C
|
C28H23NO8 501.491000 |
UAIRUFPXXNUBCL-AALRHGRASA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50363437; PubChem:CID91364090
|
Local ready
Direct docking supported
|
|
E3L054076
BDB054076
|
BDBM50363438
COc1cc(CNC(=O)c2c(OC)cc(O)c3c2OC2=CC(=O)C(C(C)=O)C(=O)[C@]23C)c2ccccc2c1
|
C29H25NO8 515.518000 |
QVPIUGXIHLETJP-GJQLDDCUSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50363438; PubChem:CID91337345
|
Local ready
Direct docking supported
|
|
E3L054077
BDB054077
|
BDBM50363439
CCOc1cc(CNC(=O)c2c(OC)cc(O)c3c2OC2=CC(=O)C(C(C)=O)C(=O)[C@]23C)c2ccccc2c1
|
C30H27NO8 529.545000 |
ALDYCGPPLOWASD-BXFARTRRSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50363439; PubChem:CID91930528
|
Local ready
Direct docking supported
|
|
E3L054078
BDB054078
|
BDBM50363440
COC(=O)c1cc(CNC(=O)c2c(OC)cc(O)c3c2OC2=CC(=O)C(C(C)=O)C(=O)[C@]23C)c2ccccc2c1
|
C30H25NO9 543.528000 |
ZBCMLSFKDRTINE-JSTCWRMYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50363440; PubChem:CID91343814
|
Local ready
Direct docking supported
|
|
E3L054079
BDB054079
|
BDBM50363441
COc1cc(O)c2c(c1C(=O)NCc1cc(C(=O)O)cc3ccccc13)OC1=CC(=O)C(C(C)=O)C(=O)[C@]12C
|
C29H23NO9 529.501000 |
HQNUEFGKXSADGF-OLVCOQPYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50363441; PubChem:CID90893082
|
Local ready
Direct docking supported
|
|
E3L054080
BDB054080
|
BDBM50363442
COC(=O)CCc1cc(CNC(=O)c2c(OC)cc(O)c3c2OC2=CC(=O)C(C(C)=O)C(=O)[C@]23C)c2ccccc2c1
|
C32H29NO9 571.582000 |
QPPJTZKTHPOFMB-WPNNEGNSSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50363442; PubChem:CID91510759
|
Local ready
Direct docking supported
|