| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L047241
BDB047241
|
BDBM50166295
COc1ccc2c(-n3c(C)c(Cc4cc(O[C@H](C)C(=O)O)ccc4Cl)c4cc(OC(F)(F)F)ccc43)noc2c1
|
C28H22ClF3N2O6 574.939000 |
QRGIUBNDZNAVAU-OAHLLOKOSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50166295; PubChem:CID44399983
|
Local ready
Direct docking supported
|
|
E3L047242
BDB047242
|
BDBM50166296
COc1ccc2ncc(-n3c(C)c(Cc4cccc(O[C@@H](C)C(=O)O)c4)c4cc(OC(F)(F)F)ccc43)cc2c1
|
C30H25F3N2O5 550.533000 |
VBLJJBHFZCXXCW-SFHVURJKSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50166296; PubChem:CID44399773
|
Local ready
Direct docking supported
|
|
E3L047243
BDB047243
|
BDBM50166297
COc1ccc2nc(-n3c(C)c(Cc4cccc(O[C@@H](C)C(=O)O)c4)c4cc(OC(F)(F)F)ccc43)ccc2c1
|
C30H25F3N2O5 550.533000 |
HFDQWXYALPKUQX-SFHVURJKSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50166297; PubChem:CID44399878
|
Local ready
Direct docking supported
|
|
E3L047244
BDB047244
|
BDBM50166298
Cc1c(Oc2cc(O[C@@H](C)C(=O)O)ccc2Cl)c2cc(OC(F)(F)F)ccc2n1-c1noc2cc(Cl)ccc12
|
C26H17Cl2F3N2O6 581.330000 |
NOWYXMPKECMLMR-ZDUSSCGKSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50166298; PubChem:CID10438226
|
Local ready
Direct docking supported
|
|
E3L047245
BDB047245
|
BDBM50166299
Cc1c(Cc2cccc(O[C@@H](C)C(=O)O)c2)c2cc(OC(F)(F)F)ccc2n1-c1ccccn1
|
C25H21F3N2O4 470.447000 |
QWIUQXRYJNRDFR-INIZCTEOSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50166299; PubChem:CID44399829
|
Local ready
Direct docking supported
|
|
E3L047246
BDB047246
|
BDBM50166300
Cc1c(Oc2ccc(Cl)c(O[C@@H](C)C(=O)O)c2)c2cc(OC(F)(F)F)ccc2n1-c1noc2cc(Cl)ccc12
|
C26H17Cl2F3N2O6 581.330000 |
PESUMSRASMUYKX-ZDUSSCGKSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50166300; PubChem:CID10371027
|
Local ready
Direct docking supported
|
|
E3L047247
BDB047247
|
BDBM50166301
C#CCOc1cccc(Cc2c(C)n(C(=O)c3ccc(OC)cc3)c3ccc(OC(F)(F)F)cc23)c1
|
C28H22F3NO4 493.481000 |
HEMWJRLDDQKGLA-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50166301; PubChem:CID44399967
|
Local ready
Direct docking supported
|
|
E3L047248
BDB047248
|
BDBM50166302
CCCc1ccc(Oc2c(C)n(-c3noc4cc(Cl)ccc34)c3ccc(OC(F)(F)F)cc23)cc1O[C@@H](C)C(=O)O
|
C29H24ClF3N2O6 588.966000 |
NKVXQMXXQRJUBJ-INIZCTEOSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50166302; PubChem:CID44399972
|
Local ready
Direct docking supported
|
|
E3L047249
BDB047249
|
BDBM50166303
COc1ccc(C(=O)n2c(C)c(Cc3cccc(OCC#N)c3)c3cc(OC(F)(F)F)ccc32)cc1
|
C27H21F3N2O4 494.469000 |
XZAJIYHJMAFTGB-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50166303; PubChem:CID44400131
|
Local ready
Direct docking supported
|
|
E3L047250
BDB047250
|
BDBM50166304
CCCc1c(Oc2c(C)n(-c3noc4cc(Cl)ccc34)c3ccc(OC(F)(F)F)cc23)cccc1O[C@@H](C)C(=O)O
|
C29H24ClF3N2O6 588.966000 |
WLGXFXGRFFNSMF-INIZCTEOSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50166304; PubChem:CID44400079
|
Local ready
Direct docking supported
|
|
E3L047251
BDB047251
|
Sulfadiazine
Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
|
C10H10N4O2S 250.283000 |
SEEPANYCNGTZFQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50166571; PubChem:CID5215
|
Local ready
Direct docking supported
|
|
E3L047252
BDB047252
|
BDBM50168542
C[C@]1(C(=O)O)CCc2ccc(OCCCOc3ccc(OCC4CC4)cc3Cl)cc2O1
|
C24H27ClO6 446.927000 |
NBIVGOULTSIQTF-XMMPIXPASA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50168542; PubChem:CID44388819
|
Local ready
Direct docking supported
|
|
E3L047253
BDB047253
|
BDBM50168543
C[C@]1(C(=O)O)CCc2ccc(OCCCOc3ccc(C4CCCCC4)cc3Cl)cc2O1
|
C26H31ClO5 458.982000 |
PJHBYEKCWVZKAI-AREMUKBSSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50168543; PubChem:CID10182946
|
Local ready
Direct docking supported
|
|
E3L047254
BDB047254
|
BDBM50168544
CC[C@]1(C(=O)O)CCc2ccc(OCCCOc3ccc(C4CCCCC4)cc3Cl)cc2O1
|
C27H33ClO5 473.009000 |
MSWIVEQMJMBBNJ-HHHXNRCGSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50168544; PubChem:CID10140233
|
Local ready
Direct docking supported
|
|
E3L047255
BDB047255
|
BDBM50168545
C[C@]1(C(=O)O)CCc2ccc(OCCCOc3ccc(Oc4ccc(F)cc4)cc3Cl)cc2O1
|
C26H24ClFO6 486.923000 |
FIHJPLGXFTWHLZ-AREMUKBSSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50168545; PubChem:CID44389191
|
Local ready
Direct docking supported
|
|
E3L047256
BDB047256
|
BDBM50168546
CC(C)(C)c1ccc(OCCCOc2ccc3c(c2)O[C@@](C)(C(=O)O)CC3)c(Cl)c1
|
C24H29ClO5 432.944000 |
XQAIQBLJGQZECG-XMMPIXPASA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50168546; PubChem:CID10113686
|
Local ready
Direct docking supported
|
|
E3L047257
BDB047257
|
BDBM50168547
C[C@]1(C(=O)O)CCc2ccc(OCCCOc3ccc(OC(F)(F)F)cc3Cl)cc2O1
|
C21H20ClF3O6 460.832000 |
WUWGFTGOXMGELJ-HXUWFJFHSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50168547; PubChem:CID9825523
|
Local ready
Direct docking supported
|
|
E3L047258
BDB047258
|
BDBM50168548
CC(C)Oc1ccc(OCCCOc2ccc3c(c2)O[C@@](C)(C(=O)O)CC3)c(Cl)c1
|
C23H27ClO6 434.916000 |
IJNGGLKJGNXSIF-HSZRJFAPSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50168548; PubChem:CID44388882
|
Local ready
Direct docking supported
|
|
E3L047259
BDB047259
|
BDBM50168549
CC[C@]1(C(=O)O)CCc2ccc(OCCCOc3ccc(C4CCC5(CC4)CC5)cc3Cl)cc2O1
|
C29H35ClO5 499.047000 |
AOWBYHGZFBMURE-GDLZYMKVSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50168549; PubChem:CID44388563
|
Local ready
Direct docking supported
|
|
E3L047260
BDB047260
|
BDBM50168550
CC[C@]1(C(=O)O)CCc2ccc(OCCCOc3ccc(C4CCC(C)(C)CC4)cc3Cl)cc2O1
|
C29H37ClO5 501.063000 |
WDMMWNUGDTVAIZ-GDLZYMKVSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50168550; PubChem:CID10207244
|
Local ready
Direct docking supported
|