| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L048541
BDB048541
|
BDBM50208388
CN1CCN(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2NC(=O)c2ccc(F)c([N+](=O)[O-])c2)CC1
|
C24H22FN5O5 479.468000 |
YEDLGSGWZKSCHJ-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50208388; PubChem:CID134131257
|
Local ready
Direct docking supported
|
|
E3L048542
BDB048542
|
BDBM50208389
Cc1c(F)c(N)cc(C(=O)Nc2cc(-c3ccc(NC(=O)C(C)(C)N)cc3)ccc2N2CCN(C)CC2)c1Cl
|
C29H34ClFN6O2 553.082000 |
BILJOXOVCXLIKP-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50208389; PubChem:CID134130407
|
Local ready
Direct docking supported
|
|
E3L048543
BDB048543
|
BDBM50208390
Cc1c(F)c([N+](=O)[O-])cc(C(=O)Nc2cc(-c3ccc([N+](=O)[O-])cc3)ccc2N2CCN(C)CC2)c1Cl
|
C25H23ClFN5O5 527.940000 |
RVHIQZXLOPWHQA-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50208390; PubChem:CID134130734
|
Local ready
Direct docking supported
|
|
E3L048544
BDB048544
|
BDBM50208391
Cc1c(F)c(N)cc(C(=O)Nc2cc(-c3ccc(NC(=O)C4CC4)cc3)ccc2N2CCN(C)CC2)c1Cl
|
C29H31ClFN5O2 536.051000 |
QLWDARVGOYOKOB-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50208391; PubChem:CID134130925
|
Local ready
Direct docking supported
|
|
E3L048545
BDB048545
|
BDBM50208392
Cc1c(F)c(N)cc(C(=O)Nc2cc(-c3ccc(NC(=O)CCN)cc3)ccc2N2CCN(C)CC2)c1Cl
|
C28H32ClFN6O2 539.055000 |
ICSAHQQKONDURX-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50208392; PubChem:CID134131026
|
Local ready
Direct docking supported
|
|
E3L048546
BDB048546
|
BDBM50208393
Cc1c(F)c(N)cc(C(=O)Nc2cc(-c3ccc(NC(=O)CN)cc3)ccc2N2CCN(C)CC2)c1Cl
|
C27H30ClFN6O2 525.028000 |
ITXTXDPYKWZOMT-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50208393; PubChem:CID134130500
|
Local ready
Direct docking supported
|
|
E3L048547
BDB048547
|
BDBM50208394
Cc1c(F)c(N)cc(C(=O)Nc2cc(-c3ccc(NC(=O)C4CCCCC4)cc3)ccc2N2CCN(C)CC2)c1Cl
|
C32H37ClFN5O2 578.132000 |
WEIRPNVMAAQNJT-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50208394; PubChem:CID134129898
|
Local ready
Direct docking supported
|
|
E3L048548
BDB048548
|
BDBM50208395
Cc1c(F)c(N)cc(C(=O)Nc2cc(-c3ccccc3)ccc2N2CCN(C)CC2)c1Cl
|
C25H26ClFN4O 452.961000 |
DTVSOQNFDJEARZ-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50208395; PubChem:CID134130195
|
Local ready
Direct docking supported
|
|
E3L048549
BDB048549
|
BDBM50208396
Cc1c(F)ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2NCCCn2ccnc2)c1Cl
|
C20H19ClFN5O3 431.855000 |
XUDVUSWLCSLWNU-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50208396; PubChem:CID134131411
|
Local ready
Direct docking supported
|
|
E3L048550
BDB048550
|
BDBM50208417
Cc1c(F)c(N)cc(C(=O)Nc2cc(-c3ccc(NC(=O)CC(C)C)cc3)ccc2N2CCN(C)CC2)c1Cl
|
C30H35ClFN5O2 552.094000 |
QOLSGBASXRXNIO-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50208417; PubChem:CID134130274
|
Local ready
Direct docking supported
|
|
E3L048551
BDB048551
|
BDBM50208421
CN1CCN(c2ccc(-c3ccc(N)cc3)cc2NC(=O)c2cccc(N)c2)CC1
|
C24H27N5O 401.514000 |
VPXJJUSYXGVJQW-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50208421; PubChem:CID134130118
|
Local ready
Direct docking supported
|
|
E3L048552
BDB048552
|
BDBM50208422
Cc1c(F)ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2N2CCN(c3ccccn3)CC2)c1Cl
|
C23H21ClFN5O3 469.904000 |
UIGUIQVPCKAJLZ-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50208422; PubChem:CID134129874
|
Local ready
Direct docking supported
|
|
E3L048553
BDB048553
|
2,3-Bis(2-hydroxyethylsulfanyl)-(1,4)naphthoquinone
O=C1C(SCCO)=C(SCCO)C(=O)c2ccccc21
|
C14H14O4S2 310.396000 |
MAASHDQFQDDECQ-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM50208827; PubChem:CID262093
|
Local ready
Direct docking supported
|
|
E3L048554
BDB048554
|
BDBM50208859
CCO[C@@H](Cc1ccc(OC/C=C/c2cc(CCc3ccccc3)cc(CCc3ccccc3)c2)cc1)C(=O)O
|
C36H38O4 534.696000 |
SFMPCCSZQLOKBC-AJPIAVEZSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50208859; PubChem:CID44441224
|
Local ready
Direct docking supported
|
|
E3L048555
BDB048555
|
BDBM50208860
CCO[C@@H](Cc1ccc(OC/C=C/c2cc(OC(=O)c3ccccc3)cc(OC(=O)c3ccccc3)c2)cc1)C(=O)O
|
C34H30O8 566.606000 |
HJPVBSQDSPVCRZ-RRZIWXQWSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50208860; PubChem:CID44441220
|
Local ready
Direct docking supported
|
|
E3L048556
BDB048556
|
BDBM50208861
CCO[C@@H](Cc1ccc(OC/C=C/c2cc(Br)cc(Br)c2)cc1)C(=O)O
|
C20H20Br2O4 484.184000 |
FVNMATFYGNOSRW-RTLBZRNLSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50208861; PubChem:CID44441213
|
Local ready
Direct docking supported
|
|
E3L048557
BDB048557
|
BDBM50208862
CCO[C@@H](Cc1ccc(OC/C=C/c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1)C(=O)O
|
C32H30O4 478.588000 |
BFPHAXWMTSCCLM-RRZIWXQWSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50208862; PubChem:CID20765803
|
Local ready
Direct docking supported
|
|
E3L048558
BDB048558
|
BDBM50208863
CCO[C@@H](Cc1ccc(OC/C=C/c2cc(OC(C)C)cc(OC(C)C)c2)cc1)C(=O)O
|
C26H34O6 442.552000 |
LFCUSKJHPWXZGL-NJFIGMEYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50208863; PubChem:CID44441216
|
Local ready
Direct docking supported
|
|
E3L048559
BDB048559
|
BDBM50208864
CCO[C@@H](Cc1ccc(OC/C=C/c2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)cc1)C(=O)O
|
C24H24F6O6 522.438000 |
RXYCRTPUOHFIKR-SHTLVRLNSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50208864; PubChem:CID16747684
|
Local ready
Direct docking supported
|
|
E3L048560
BDB048560
|
BDBM50208865
CCOc1cc(/C=C/COc2ccc(C[C@H](OCC)C(=O)O)cc2)cc(OCC)c1
|
C24H30O6 414.498000 |
KXPCNHRXRBQQBA-MNQSQUENSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50208865; PubChem:CID44441215
|
Local ready
Direct docking supported
|