| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L048941
BDB048941
|
BDBM50227750
Cc1cc(Oc2cccc(CNC(=O)c3cc4cccc(Br)c4[nH]3)c2)ccc1CCC(=O)O
|
C26H23BrN2O4 507.384000 |
UWORFOWXVNUTEY-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50227750; PubChem:CID44434358
|
Local ready
Direct docking supported
|
|
E3L048942
BDB048942
|
BDBM50227751
Cc1cc(Oc2cccc(CNC(=O)c3cc4cc(Cl)c(Cl)cc4[nH]3)c2)ccc1CCC(=O)O
|
C26H22Cl2N2O4 497.378000 |
DCPNQRIWTPRDLD-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50227751; PubChem:CID44434359
|
Local ready
Direct docking supported
|
|
E3L048943
BDB048943
|
BDBM50227752
Cc1cc(Oc2cccc(CNC(=O)c3ccc(C(F)(F)F)cc3Cl)c2)ccc1OC(C)(C)C(=O)O
|
C26H23ClF3NO5 521.919000 |
VSZYTEINNZOPPZ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50227752; PubChem:CID44434339
|
Local ready
Direct docking supported
|
|
E3L048944
BDB048944
|
BDBM50227753
Cc1cc(Oc2cccc(CNC(=O)c3ccc(C(F)(F)F)cc3C(F)(F)F)c2)ccc1OC(C)(C)C(=O)O
|
C27H23F6NO5 555.471000 |
SOKGUCREKPAHNX-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50227753; PubChem:CID44434342
|
Local ready
Direct docking supported
|
|
E3L048945
BDB048945
|
BDBM50227754
CCc1cc(Oc2cc(F)cc([C@@H](C)NC(=O)c3sc4ccc(Cl)cc4c3C)c2)ccc1CCC(=O)O
|
C29H27ClFNO4S 540.056000 |
WQCJKMGDGUHOFD-QGZVFWFLSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50227754; PubChem:CID44434362
|
Local ready
Direct docking supported
|
|
E3L048946
BDB048946
|
BDBM50227755
Cc1cc(Oc2cccc(CNC(=O)c3cc4c(Cl)cccc4[nH]3)c2)ccc1CCC(=O)O
|
C26H23ClN2O4 462.933000 |
NXOVPNGYQKFFLP-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50227755; PubChem:CID44434354
|
Local ready
Direct docking supported
|
|
E3L048947
BDB048947
|
BDBM50227756
Cc1cc(Oc2cccc(CNC(=O)c3ccccc3C)c2)ccc1OC(C)(C)C(=O)O
|
C26H27NO5 433.504000 |
LVTFMCYHAXZDHY-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50227756; PubChem:CID44434349
|
Local ready
Direct docking supported
|
|
E3L048948
BDB048948
|
BDBM50227757
Cc1cc(Oc2cccc(CNC(=O)c3ccc(C(F)(F)F)cc3F)c2)ccc1OC(C)(C)C(=O)O
|
C26H23F4NO5 505.464000 |
HSTVLXWZJQXEFX-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50227757; PubChem:CID44434340
|
Local ready
Direct docking supported
|
|
E3L048949
BDB048949
|
BDBM50227758
Cc1cc(Oc2cccc(CNC(=O)c3cc4cc(Cl)ccc4n3C)c2)ccc1CCC(=O)O
|
C27H25ClN2O4 476.960000 |
LCOLZKUTZKYABX-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50227758; PubChem:CID44434360
|
Local ready
Direct docking supported
|
|
E3L048950
BDB048950
|
BDBM50227759
Cc1cc(Oc2cccc(CNC(=O)c3cc4ccc(Cl)cc4[nH]3)c2)ccc1CCC(=O)O
|
C26H23ClN2O4 462.933000 |
HCQZMPXPNBXDCK-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50227759; PubChem:CID44434356
|
Local ready
Direct docking supported
|
|
E3L048951
BDB048951
|
BDBM50227760
Cc1cc(Oc2cccc(CNC(=O)c3ccc(C(F)(F)F)cc3Oc3ccccc3)c2)ccc1OC(C)(C)C(=O)O
|
C32H28F3NO6 579.571000 |
KJSHBUOTUBSIJB-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50227760; PubChem:CID44434343
|
Local ready
Direct docking supported
|
|
E3L048952
BDB048952
|
BDBM50227761
Cc1cc(Oc2cc(F)cc(CNC(=O)c3ccc(C(F)(F)F)cc3F)c2)ccc1OC(C)(C)C(=O)O
|
C26H22F5NO5 523.454000 |
DKIFKNHRBFRHBV-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50227761; PubChem:CID44434352
|
Local ready
Direct docking supported
|
|
E3L048953
BDB048953
|
BDBM50227762
Cc1cc(Oc2cccc(CNC(=O)c3ccc(Cl)cc3C)c2)ccc1OC(C)(C)C(=O)O
|
C26H26ClNO5 467.949000 |
QNZSBQPWPIGOBL-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50227762; PubChem:CID44434346
|
Local ready
Direct docking supported
|
|
E3L048954
BDB048954
|
BDBM50227763
CCc1cc(Oc2cc(F)cc([C@@H](C)NC(=O)c3c(C)c4cc(Cl)ccc4n3C)c2)ccc1CCC(=O)O
|
C30H30ClFN2O4 537.031000 |
OLSUHVQNYCQQTK-GOSISDBHSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50227763; PubChem:CID24754924
|
Local ready
Direct docking supported
|
|
E3L048955
BDB048955
|
BDBM50227764
Cc1cc(CNC(=O)c2ccc(C(F)(F)F)cc2F)cc(Oc2ccc(OC(C)(C)C(=O)O)c(C)c2)c1
|
C27H25F4NO5 519.491000 |
LJWSDVCKSQBSFM-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50227764; PubChem:CID11295349
|
Local ready
Direct docking supported
|
|
E3L048956
BDB048956
|
BDBM50227765
Cc1cc(Oc2cccc(CNC(=O)c3[nH]c4ccc(Cl)cc4c3C)c2)ccc1CCC(=O)O
|
C27H25ClN2O4 476.960000 |
RNGBTTOZWKPKDI-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50227765; PubChem:CID44434361
|
Local ready
Direct docking supported
|
|
E3L048957
BDB048957
|
BDBM50227766
Cc1ccc(C(=O)NCc2cccc(Oc3ccc(OC(C)(C)C(=O)O)c(C)c3)c2)c(C)c1
|
C27H29NO5 447.531000 |
FGPOTUPYQZSXAV-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50227766; PubChem:CID44434345
|
Local ready
Direct docking supported
|
|
E3L048958
BDB048958
|
BDBM50228278
CC[C@H](C)[C@H](NC(=O)[C@@H](CP(=O)(O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(N)=O
|
C63H96N19O12P 1342.556000 |
KYKHPPRCCREVDR-IUFCUILOSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50228278
|
Local ready
Direct docking supported
|
|
E3L048959
BDB048959
|
BDBM50228279
CC[C@H](C)[C@H](NC(=O)CCP(=O)(O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(N)=O
|
C60H90N19O12P 1300.475000 |
OKOCBFVXAMEWDX-OJMZUFRBSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50228279
|
Local ready
Direct docking supported
|
|
E3L048960
BDB048960
|
Chlorocyclinone A
CCc1c(C(=O)OC)cc2c(c1O)C(=O)c1c(O)cc3cc(C)c(Cl)c(OC)c3c1C2=O
|
C24H19ClO7 454.862000 |
NFJVYTZFJNVKBA-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50228358; PubChem:CID24762579
|
Local ready
Direct docking supported
|