| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L051221
BDB051221
|
BDBM50293701
Cc1cc(Nc2nc(-c3ccncc3)nc3ccccc23)[nH]n1
|
C17H14N6 302.341000 |
LGWDGIALCCNBQU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50293701; PubChem:CID9901007
|
Local ready
Direct docking supported
|
|
E3L051222
BDB051222
|
BDBM50293844
Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2n1Cc1cccc(OC2(C(=O)O)CCC2)c1
|
C29H23ClF3NO5 557.952000 |
NEIOEHYODVHBBU-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50293844; PubChem:CID18438761
|
Local ready
Direct docking supported
|
|
E3L051223
BDB051223
|
BDBM50293846
CC[C@@](C)(Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc32)c1)C(=O)O
|
C29H25ClF3NO5 559.968000 |
PPABEUFJNVWETL-MUUNZHRXSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50293846; PubChem:CID44190862
|
Local ready
Direct docking supported
|
|
E3L051224
BDB051224
|
BDBM50293847
Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2n1Cc1cccc(O[C@@H](C(=O)O)C(C)C)c1
|
C29H25ClF3NO5 559.968000 |
GDSCCLCHSVBGDJ-HHHXNRCGSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50293847; PubChem:CID44190861
|
Local ready
Direct docking supported
|
|
E3L051225
BDB051225
|
BDBM50293848
Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2n1Cc1cccc(O[C@H](C(=O)O)C(C)C)c1
|
C29H25ClF3NO5 559.968000 |
GDSCCLCHSVBGDJ-MHZLTWQESA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50293848; PubChem:CID44190676
|
Local ready
Direct docking supported
|
|
E3L051226
BDB051226
|
BDBM50293849
CCC[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc32)c1)C(=O)O
|
C29H25ClF3NO5 559.968000 |
ZFQAHULOEMHEDO-RUZDIDTESA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50293849; PubChem:CID44190860
|
Local ready
Direct docking supported
|
|
E3L051227
BDB051227
|
BDBM50293850
CCC[C@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc32)c1)C(=O)O
|
C29H25ClF3NO5 559.968000 |
ZFQAHULOEMHEDO-VWLOTQADSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50293850; PubChem:CID44190764
|
Local ready
Direct docking supported
|
|
E3L051228
BDB051228
|
BDBM50293851
CC[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc32)c1)C(=O)O
|
C28H23ClF3NO5 545.941000 |
QTNLJMSTDKBAOB-XMMPIXPASA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50293851; PubChem:CID44190675
|
Local ready
Direct docking supported
|
|
E3L051229
BDB051229
|
BDBM50293852
CC[C@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc32)c1)C(=O)O
|
C28H23ClF3NO5 545.941000 |
QTNLJMSTDKBAOB-DEOSSOPVSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50293852; PubChem:CID44190763
|
Local ready
Direct docking supported
|
|
E3L051230
BDB051230
|
BDBM50293853
Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2n1Cc1cccc(OCC(=O)O)c1
|
C26H19ClF3NO5 517.887000 |
XLJAGICJAKVSJO-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50293853; PubChem:CID44190863
|
Local ready
Direct docking supported
|
|
E3L051231
BDB051231
|
BDBM50293854
Cc1c(Cc2cccc(OCC(=O)O)c2)c2cc(OC(F)(F)F)ccc2n1C(=O)c1ccc(Cl)cc1
|
C26H19ClF3NO5 517.887000 |
MAPNDWGAIMFUJK-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50293854; PubChem:CID45272171
|
Local ready
Direct docking supported
|
|
E3L051232
BDB051232
|
BDBM50294688
CCO[C@@H](Cc1ccc(OCCN2CCC(C)(C)c3cc(/C(=N/OCc4ccccc4)c4ccccc4)ccc32)cc1)C(=O)O
|
C38H42N2O5 606.763000 |
JRLXYWWSHLFGMT-SMCFFFHMSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50294688; PubChem:CID45268054
|
Local ready
Direct docking supported
|
|
E3L051233
BDB051233
|
BDBM50294689
C=CCO/N=C(\c1ccccc1)c1ccc2c(c1)C(C)(C)CCN2CCOc1ccc(C[C@H](OCC)C(=O)O)cc1
|
C34H40N2O5 556.703000 |
UTTGOPDOLTYVJB-CWZPEEBUSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50294689; PubChem:CID45273207
|
Local ready
Direct docking supported
|
|
E3L051234
BDB051234
|
BDBM50294690
CCO[C@@H](Cc1ccc(OCCN2CCC(C)(C)c3cc(/C(=N/OC)c4ccccc4)ccc32)cc1)C(=O)O
|
C32H38N2O5 530.665000 |
XPMZAYBVAONKQR-CNIOWBRYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50294690; PubChem:CID11497430
|
Local ready
Direct docking supported
|
|
E3L051235
BDB051235
|
BDBM50294691
CO/N=C(\c1ccccc1)c1ccc2c(c1)C(C)(C)CCN2CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1
|
C43H43N3O5 681.833000 |
BBEUDIUBZYKMHM-UNVZBQTISA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50294691; PubChem:CID45271445
|
Local ready
Direct docking supported
|
|
E3L051236
BDB051236
|
BDBM50294692
CO/N=C(\c1ccccc1)c1ccc2c(c1)C(C)(C)CCN2CCOc1ccc(C[C@H](OCC(F)(F)F)C(=O)O)cc1
|
C32H35F3N2O5 584.635000 |
VSBGCJSWYZTYQE-BHRXSAPHSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50294692; PubChem:CID45268062
|
Local ready
Direct docking supported
|
|
E3L051237
BDB051237
|
BDBM50294693
CCO[C@@H](Cc1ccc(OCCN2CCC(C)(C)c3cc(/C(=N/OCC4CC4)c4ccccc4)ccc32)cc1)C(=O)O
|
C35H42N2O5 570.730000 |
JVFXFRCEOPWDBA-TUVSTOBPSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50294693; PubChem:CID45269787
|
Local ready
Direct docking supported
|
|
E3L051238
BDB051238
|
BDBM50294694
CCOC(=O)CN(Cc1ccc(OCCN2CCC(C)(C)c3cc(C(N=O)c4ccccc4)ccc32)cc1)C(=O)O
|
C32H37N3O6 559.663000 |
DIJRGEOWQTZSGN-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50294694; PubChem:CID91934246
|
Local ready
Direct docking supported
|
|
E3L051239
BDB051239
|
BDBM50294695
CO/N=C(\c1ccccc1)c1ccc2c(c1)C(C)(C)CCN2CCOc1ccc(C[C@H](OC(C)=O)C(=O)O)cc1
|
C32H36N2O6 544.648000 |
YRHUAQUXWNENAJ-CNIOWBRYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50294695; PubChem:CID45268061
|
Local ready
Direct docking supported
|
|
E3L051240
BDB051240
|
BDBM50294835
O=C(Nc1cccc2cccnc12)c1ccc(-n2c(O)c3c(c2O)[C@H]2C=C[C@@H]3C2)cc1
|
C25H19N3O3 409.445000 |
OGYSABKWWQZOIU-CALCHBBNSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50294835; PubChem:CID91934288
|
Local ready
Direct docking supported
|