| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L048001
BDB048001
|
BDBM50193032
C=CC(=O)N1CCN(S(=O)(=O)c2cccc(Nc3ncc4c(n3)N(C)c3ccc(C)cc3C(=O)N4C)c2)CC1
|
C27H29N7O4S 547.641000 |
ZOKVMFNJBPBZCE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50193032; PubChem:CID132005228
|
Local ready
Direct docking supported
|
|
E3L048002
BDB048002
|
BDBM50193085
C[C@H](O)[C@@H](C)Oc1nc(Nc2ccc(S(=N)(=O)C3CC3)cc2)ncc1C(F)(F)F
|
C18H21F3N4O3S 430.452000 |
UELYDGOOJPRWGF-DUFANNBHSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM50193085; PubChem:CID134140883
|
Local ready
Direct docking supported
|
|
E3L048003
BDB048003
|
BDBM50193086
CN1CC[C@@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@@H]1CO
|
C21H20ClNO5 401.846000 |
QLUYMIVVAYRECT-OCCSQVGLSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM50193086; PubChem:CID23643976
|
Local ready
Direct docking supported
|
|
E3L048004
BDB048004
|
BDBM50193097
CC(C)c1c2cc(-c3ccnc(N[C@H]4CC[C@H](NC5CCOCC5)CC4)n3)ccc2nn1C
|
C26H36N6O 448.615000 |
LHIUZPIDLZYPRL-MXVIHJGJSA-N | P51948 | Cyclin-H |
BindingDB
BindingDB:BDBM50193097
|
Local ready
Direct docking supported
|
|
E3L048005
BDB048005
|
FG-2216
O=C(O)CNC(=O)c1nc(Cl)c2ccccc2c1O
|
C12H9ClN2O4 280.667000 |
OUQVKRKGTAUJQA-UHFFFAOYSA-N | P41229 | Lysine-specific demethylase 5C |
BindingDB, PubChem
BindingDB:BDBM50193145; PubChem:CID6914666
|
Local ready
Direct docking supported
|
|
E3L048006
BDB048006
|
BDBM50193711
COc1cccc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C
|
C17H20N2O3 300.358000 |
PJZRSEKWQPTNFO-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50193711; PubChem:CID118046535
|
Local ready
Direct docking supported
|
|
E3L048007
BDB048007
|
BDBM50193727
Cc1ccc(S(=O)(=O)NC(=O)c2cc3ccccc3n2Cc2cccc(C(F)(F)F)c2)cc1
|
C24H19F3N2O3S 472.488000 |
IGVSFCMOWZVJDZ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50193727; PubChem:CID44419353
|
Local ready
Direct docking supported
|
|
E3L048008
BDB048008
|
BDBM50193728
O=C(NS(=O)(=O)c1ccccc1)c1cc2ccccc2n1Cc1cccc(C(F)(F)F)c1
|
C23H17F3N2O3S 458.461000 |
BOIBQVNKABTFSY-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50193728; PubChem:CID44419393
|
Local ready
Direct docking supported
|
|
E3L048009
BDB048009
|
BDBM50193729
COc1ccc(-c2c(C(=O)NS(=O)(=O)c3cccc(C(F)(F)F)c3)n(Cc3cccc(C(F)(F)F)c3)c3ccccc23)cc1
|
C31H22F6N2O4S 632.582000 |
LINUGMFIDAUGBH-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50193729; PubChem:CID44419253
|
Local ready
Direct docking supported
|
|
E3L048010
BDB048010
|
BDBM50193730
O=C(NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1cc2ccccc2n1Cc1ccc(C(F)(F)F)cc1
|
C24H16F6N2O3S 526.458000 |
BTOCKCVPXWXBMA-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50193730; PubChem:CID44419362
|
Local ready
Direct docking supported
|
|
E3L048011
BDB048011
|
BDBM50193731
O=C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1cc2ccccc2n1Cc1ccc(C(F)(F)F)cc1
|
C24H16F6N2O3S 526.458000 |
UOCZVDFFAHAXML-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50193731; PubChem:CID44419373
|
Local ready
Direct docking supported
|
|
E3L048012
BDB048012
|
BDBM50193732
CC(C)(C)c1ccc(Cn2c(C(=O)NS(=O)(=O)c3cccc(C(F)(F)F)c3)cc3ccccc32)cc1
|
C27H25F3N2O3S 514.569000 |
CPQQJSIYPCGQQU-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50193732; PubChem:CID44419386
|
Local ready
Direct docking supported
|
|
E3L048013
BDB048013
|
BDBM50193733
O=C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1cc2ccccc2n1Cc1cccc(OCc2ccccc2)c1
|
C30H23F3N2O4S 564.585000 |
NZNRDAXVBYSQEB-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50193733; PubChem:CID44419381
|
Local ready
Direct docking supported
|
|
E3L048014
BDB048014
|
BDBM50193734
COC(=O)c1ccccc1S(=O)(=O)NC(=O)c1c(-c2ccc(OC)cc2)c2ccccc2n1Cc1cccc(C(F)(F)F)c1
|
C32H25F3N2O6S 622.621000 |
RRLTYQDNNRNQPH-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50193734; PubChem:CID44419255
|
Local ready
Direct docking supported
|
|
E3L048015
BDB048015
|
BDBM50193735
COc1cccc(Cn2c(C(=O)NS(=O)(=O)c3cccc(C(F)(F)F)c3)cc3ccccc32)c1
|
C24H19F3N2O4S 488.487000 |
RTGMIEDNCDDPEX-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50193735; PubChem:CID44419365
|
Local ready
Direct docking supported
|
|
E3L048016
BDB048016
|
BDBM50193736
COc1ccc(-c2c(C(=O)NS(C)(=O)=O)n(Cc3cccc(C(F)(F)F)c3)c3ccccc23)cc1
|
C25H21F3N2O4S 502.514000 |
RUSDVKUNFXBCHZ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50193736; PubChem:CID44419392
|
Local ready
Direct docking supported
|
|
E3L048017
BDB048017
|
BDBM50193737
O=C(NS(=O)(=O)c1ccc(F)cc1)c1cc2ccccc2n1Cc1cccc(C(F)(F)F)c1
|
C23H16F4N2O3S 476.451000 |
KBPGJFYSJKCCLX-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50193737; PubChem:CID44419348
|
Local ready
Direct docking supported
|
|
E3L048018
BDB048018
|
BDBM50193738
O=C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1cc2cc(OCc3ccccc3)ccc2n1Cc1cccc(C(F)(F)F)c1
|
C31H22F6N2O4S 632.582000 |
FMVFQJHUJRZMPP-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50193738; PubChem:CID44419383
|
Local ready
Direct docking supported
|
|
E3L048019
BDB048019
|
BDBM50193739
O=C(NS(=O)(=O)c1ccc(Cl)s1)c1cc2ccccc2n1Cc1cccc(C(F)(F)F)c1
|
C21H14ClF3N2O3S2 498.935000 |
ZRPUUOXOGLOCQT-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50193739; PubChem:CID44419357
|
Local ready
Direct docking supported
|
|
E3L048020
BDB048020
|
BDBM50193740
CS(=O)(=O)NC(=O)c1cc2ccccc2n1Cc1cccc(C(F)(F)F)c1
|
C18H15F3N2O3S 396.390000 |
VWSXCEGXUJTKKE-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50193740; PubChem:CID44419361
|
Local ready
Direct docking supported
|