| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L049101
BDB049101
|
BDBM50231878
CC(=O)N[C@@H]1CCN(c2ccc([C@H]3CN(Cc4c(C)cccc4F)C[C@@H]3N(C)C)cc2)C1
|
C26H35FN4O 438.591000 |
BWCLBTGVKLJLJZ-QQSVUBKYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50231878; PubChem:CID137642569
|
Local ready
Direct docking supported
|
|
E3L049102
BDB049102
|
BDBM50231879
Cc1cccc(F)c1CN1C[C@H](c2ccc(N(C)C3CCN(C)CC3)cc2)[C@@H](N(C)C)C1
|
C27H39FN4 438.635000 |
XJYUBWQEKFJNIY-VPUSJEBWSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50231879; PubChem:CID137659477
|
Local ready
Direct docking supported
|
|
E3L049103
BDB049103
|
BDBM50231880
Cc1cccc(F)c1CN1C[C@H](c2ccc(N3CCN(c4ccccc4S(C)(=O)=O)CC3)cc2)[C@@H](N(C)C)C1
|
C31H39FN4O2S 550.744000 |
XFZIMBVDLIJBNE-OFSOJUDTSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50231880; PubChem:CID137640714
|
Local ready
Direct docking supported
|
|
E3L049104
BDB049104
|
BDBM50232203
CCCc1nc2ccc(-c3ccc(O)cc3)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
|
C30H26N2O3 462.549000 |
ALTXGVLFLJNZDK-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50232203; PubChem:CID137657634
|
Local ready
Direct docking supported
|
|
E3L049105
BDB049105
|
BDBM50232204
CCCc1nc2ccc(-c3cccc(O)c3)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
|
C30H26N2O3 462.549000 |
XHSOFMRWDQNVIG-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50232204; PubChem:CID137658450
|
Local ready
Direct docking supported
|
|
E3L049106
BDB049106
|
BDBM50232205
CCCc1nc2ccc(-c3ccc(Cl)cc3)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
|
C30H25ClN2O2 480.995000 |
KDEKFKIMTZKHTB-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50232205; PubChem:CID137646877
|
Local ready
Direct docking supported
|
|
E3L049107
BDB049107
|
BDBM50232206
CCCc1nc2ccc(-c3cccc(Cl)c3)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
|
C30H25ClN2O2 480.995000 |
TWIVKWZEQFFZJU-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50232206; PubChem:CID137643812
|
Local ready
Direct docking supported
|
|
E3L049108
BDB049108
|
BDBM50232207
CCCc1nc2cc(-c3ccc(OC)cc3)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
|
C31H28N2O3 476.576000 |
DZIBLIXIWLIYBV-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50232207; PubChem:CID137655271
|
Local ready
Direct docking supported
|
|
E3L049109
BDB049109
|
BDBM50232209
CCCc1nc2ccc(-c3ccc(OC)cc3)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
|
C31H28N2O3 476.576000 |
DQGDCPKSXDTGCI-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50232209; PubChem:CID137656170
|
Local ready
Direct docking supported
|
|
E3L049110
BDB049110
|
BDBM50232210
CCCc1nc2cc(-c3cccc(OC)c3)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
|
C31H28N2O3 476.576000 |
CUWVJIKZQSPBSU-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50232210; PubChem:CID137649352
|
Local ready
Direct docking supported
|
|
E3L049111
BDB049111
|
BDBM50232211
CCCc1nc2cc(-c3cccc(O)c3)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
|
C30H26N2O3 462.549000 |
VDXYIPDBTPOIBA-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50232211; PubChem:CID137633766
|
Local ready
Direct docking supported
|
|
E3L049112
BDB049112
|
BDBM50232212
CCCc1nc2ccc(-c3cccc(OC)c3)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
|
C31H28N2O3 476.576000 |
RFVHNNYZHDYRPL-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50232212; PubChem:CID137642891
|
Local ready
Direct docking supported
|
|
E3L049113
BDB049113
|
BDBM50232213
CCCc1nc2ccc(-c3ccccc3Cl)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
|
C30H25ClN2O2 480.995000 |
XIFDQXQCWHXVIY-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50232213; PubChem:CID137632174
|
Local ready
Direct docking supported
|
|
E3L049114
BDB049114
|
BDBM50232214
CCCc1nc2cc(-c3ccc(O)cc3)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
|
C30H26N2O3 462.549000 |
KNHPDFZTWMICKD-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50232214; PubChem:CID137654269
|
Local ready
Direct docking supported
|
|
E3L049115
BDB049115
|
BDBM50232215
CCCc1nc2cc(-c3ccc(Cl)cc3)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
|
C30H25ClN2O2 480.995000 |
MYCSLYHBCNPHMM-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50232215; PubChem:CID137661255
|
Local ready
Direct docking supported
|
|
E3L049116
BDB049116
|
BDBM50232216
CCCc1nc2cc(-c3ccccc3Cl)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
|
C30H25ClN2O2 480.995000 |
AHQBICQSNYNSAM-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50232216; PubChem:CID137650297
|
Local ready
Direct docking supported
|
|
E3L049117
BDB049117
|
BDBM50232346
Cc1cc(N2C[C@@H](C)N[C@@H](C)C2)ncc1-c1ccc(-c2nc3c(ccn3C)c(=O)[nH]2)cc1
|
C25H28N6O 428.540000 |
WCPTUQOMNJBIET-CALCHBBNSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50232346; PubChem:CID135905416
|
Local ready
Direct docking supported
|
|
E3L049118
BDB049118
|
5-(2-oxo-2-phenylethoxy)isoquinolin-1(2H)-one
O=C(COc1cccc2c(=O)[nH]ccc12)c1ccccc1
|
C17H13NO3 279.295000 |
JJWMRRNGWSITSQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50232347; PubChem:CID25015515
|
Local ready
Direct docking supported
|
|
E3L049119
BDB049119
|
BDBM50233420
CN[C@@H](C)C(=O)N[C@H](C(=O)NC(Cc1ccc([C@H]2C[C@@H](C(=O)N[C@@H]3CCCc4ccccc43)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C2)cc1)C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
|
C54H76N8O6 933.252000 |
CJUBOHROPFVSBN-LJJQTLJPSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50233420
|
Local ready
Direct docking supported
|
|
E3L049120
BDB049120
|
BDBM50233421
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](c2ccc(CC(NC(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)SCC(=O)NC(CO)CO)C(=O)N[C@@H]3CCCc4ccccc43)cc2)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
|
C58H83N9O9S 1082.423000 |
XIWLVQBKXWLKBR-LSATXCLKSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50233421
|
Local ready
Direct docking supported
|