| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L045601
BDB045601
|
BDBM50093474
Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@@H](NC(=O)/C=C/c2ccco2)C(=O)O)cc1
|
C28H26N2O6 486.524000 |
YHBKSRJCMFFFMB-AKNQKSQZSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50093474; PubChem:CID122179683
|
Local ready
Direct docking supported
|
|
E3L045602
BDB045602
|
BDBM50093475
O=C(Nc1ccc(Oc2ncccn2)cc1C(=O)O)c1ccc(Cl)cc1Cl
|
C18H11Cl2N3O4 404.209000 |
VNDRRWBKNSHALL-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50093475; PubChem:CID5289162
|
Local ready
Direct docking supported
|
|
E3L045603
BDB045603
|
BDBM50093478
C/C(=N/OCCOc1cccc(CC2SC(=O)NC2=O)c1)c1ccc(-c2ccccc2)cc1
|
C26H24N2O4S 460.555000 |
CSMNYNDOVNCNHN-VEILYXNESA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50093478; PubChem:CID122179687
|
Local ready
Direct docking supported
|
|
E3L045604
BDB045604
|
BDBM50094484
COc1c(C[C@H](C)O)c2c3c(C[C@H](C)O)c(OC)c(=O)c4c(O)cc5c(c6c(cc(O)c(c1=O)c62)OCO5)c43
|
C29H26O10 534.517000 |
DGAZLNHJYDOWLG-QWRGUYRKSA-N | P12830 | Catenin beta-1 |
BindingDB
BindingDB:BDBM50094484
|
Local ready
Direct docking supported
|
|
E3L045605
BDB045605
|
BDBM50094634
CCc1ccc(OCc2ccccc2C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
|
C26H25N3O2 411.505000 |
VTGBZWHPJFMTKS-UHFFFAOYSA-N | Q9HCI5 | Melanoma-associated antigen E1 |
BindingDB, PubChem
BindingDB:BDBM50094634; PubChem:CID5311340
|
Local ready
Direct docking supported
|
|
E3L045606
BDB045606
|
3-(4-methylphenyl)-2H-2,6-naphthyridin-1-one
Cc1ccc(-c2cc3cnccc3c(=O)[nH]2)cc1
|
C15H12N2O 236.274000 |
FBNVJEHMMMVPBM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50094924; PubChem:CID76280997
|
Local ready
Direct docking supported
|
|
E3L045607
BDB045607
|
BDBM50094925
CN1CCCc2c1cc(-c1ccccc1)[nH]c2=O
|
C15H16N2O 240.306000 |
DTMHAFMUJHYVGK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50094925; PubChem:CID90202994
|
Local ready
Direct docking supported
|
|
E3L045608
BDB045608
|
BDBM50094926
COc1ccc(-c2cc3c(c(=O)[nH]2)CCCN3C)cc1
|
C16H18N2O2 270.332000 |
ZDXHDNKNNXPLHR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50094926; PubChem:CID76280732
|
Local ready
Direct docking supported
|
|
E3L045609
BDB045609
|
BDBM50094927
CN1CCCc2c1cc(-c1ccc(C(F)(F)F)cc1)[nH]c2=O
|
C16H15F3N2O 308.303000 |
QDFBKHZKWYRNJE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50094927; PubChem:CID76280992
|
Local ready
Direct docking supported
|
|
E3L045610
BDB045610
|
BDBM50094928
CN1CCCc2c1cc(-c1ccc(Cl)cc1)[nH]c2=O
|
C15H15ClN2O 274.751000 |
XHBUHAYJGXCPDR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50094928; PubChem:CID76280993
|
Local ready
Direct docking supported
|
|
E3L045611
BDB045611
|
BDBM50094941
CN1CCCc2c1cc(-c1ccc(Br)cc1)[nH]c2=O
|
C15H15BrN2O 319.202000 |
FASROOIKQQJQSJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50094941; PubChem:CID76280996
|
Local ready
Direct docking supported
|
|
E3L045612
BDB045612
|
Abt-639
O=C(c1cc(S(=O)(=O)Nc2ccccc2F)c(F)cc1Cl)N1CCN2CCC[C@@H]2C1
|
C20H20ClF2N3O3S 455.914000 |
AGPIHNZOZNKRGT-CYBMUJFWSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50095309; PubChem:CID46851313
|
Local ready
Direct docking supported
|
|
E3L045613
BDB045613
|
BDBM50095443
CCCCN(C)CCCCC(=O)N(O)CCC(=O)O
|
C13H26N2O4 274.361000 |
URJZQSGDPMUWET-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50095443; PubChem:CID122181577
|
Local ready
Direct docking supported
|
|
E3L045614
BDB045614
|
BDBM50095445
CCCCN(C)CCCCCC(=O)N(O)CCC(=O)O
|
C14H28N2O4 288.388000 |
OIUQPBKOVCASNP-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50095445; PubChem:CID53380104
|
Local ready
Direct docking supported
|
|
E3L045615
BDB045615
|
BDBM50095446
CCCCCN(C)CCCCC(=O)N(O)CCC(=O)O
|
C14H28N2O4 288.388000 |
HJBMFBWLCUPWEB-UHFFFAOYSA-N | P29375, P41229 | Lysine-specific demethylase 5A, Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM50095446; PubChem:CID122181583
|
Local ready
Direct docking supported
|
|
E3L045616
BDB045616
|
BDBM50095447
CCCCCCN(C)CCCCC(=O)N(O)CCC(=O)O
|
C15H30N2O4 302.415000 |
CGDNTKHBSNXGFS-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50095447; PubChem:CID122181584
|
Local ready
Direct docking supported
|
|
E3L045617
BDB045617
|
BDBM50095448
CCCCCCN(CCCC)CCCCC(=O)N(O)CCC(=O)O
|
C18H36N2O4 344.496000 |
DMGIMUVLIYJPAF-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50095448; PubChem:CID122181587
|
Local ready
Direct docking supported
|
|
E3L045618
BDB045618
|
BDBM50095451
CCCCCCCCN(CCCC)CCCCC(=O)N(O)CCC(=O)O
|
C20H40N2O4 372.550000 |
WDUQFPXYBMNXMV-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50095451; PubChem:CID122181588
|
Local ready
Direct docking supported
|
|
E3L045619
BDB045619
|
BDBM50095452
CCCCN(C)CCC(=O)N(O)CCC(=O)O
|
C11H22N2O4 246.307000 |
IDFRSUICHOQMDZ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50095452; PubChem:CID122181578
|
Local ready
Direct docking supported
|
|
E3L045620
BDB045620
|
BDBM50095453
CCCCN(C)CCCC(=O)N(O)CCC(=O)O
|
C12H24N2O4 260.334000 |
NCTWZFRBBLWFMB-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50095453; PubChem:CID122181579
|
Local ready
Direct docking supported
|