| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L050181
BDB050181
|
BDBM50259907
CC(C)c1nc(N)n2c1C(Cc1cccc3c1OCO3)CCC2
|
C18H23N3O2 313.401000 |
VDCLREYSLXKWQN-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50259907; PubChem:CID137660820
|
Local ready
Direct docking supported
|
|
E3L050182
BDB050182
|
BDBM50259908
CC(C)c1nc(N)n2c1CCC(Cc1ccccc1F)C2
|
C17H22FN3 287.382000 |
FXHDPFSGWZQTEH-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50259908; PubChem:CID137652034
|
Local ready
Direct docking supported
|
|
E3L050183
BDB050183
|
3-(1-Benzofuran-7-ylmethyl)piperidine-1-carboxamide
NC(=O)N1CCCC(Cc2cccc3ccoc23)C1
|
C15H18N2O2 258.321000 |
YXZPKCSYAVOCLS-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50259909; PubChem:CID137642432
|
Local ready
Direct docking supported
|
|
E3L050184
BDB050184
|
BDBM50259910
COc1cccc(C[C@H]2C[C@H]3Cc4c(cccc4OC)C[C@@H]3N(C)C2)c1
|
C23H29NO2 351.490000 |
QZUPQRHYHMMHGC-JLMWRMLUSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50259910; PubChem:CID137349702
|
Local ready
Direct docking supported
|
|
E3L050185
BDB050185
|
3-[(4-Fluoro-3-methoxyphenyl)methyl]piperidine
COc1cc(CC2CCCNC2)ccc1F
|
C13H18FNO 223.291000 |
ZACCVLKGSMRLDV-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50259911; PubChem:CID84789118
|
Local ready
Direct docking supported
|
|
E3L050186
BDB050186
|
3-[(3-Methoxyphenyl)methyl]piperidine-1-carboximidamide
COc1cccc(CC2CCCN(C(=N)N)C2)c1
|
C14H21N3O 247.342000 |
YLJPLOYBNUPMHQ-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50259912; PubChem:CID137644185
|
Local ready
Direct docking supported
|
|
E3L050187
BDB050187
|
BDBM50260048
O=c1c(OS(=O)(=O)O)c(-c2ccc(OS(=O)(=O)O)c(OS(=O)(=O)O)c2)oc2cc(OS(=O)(=O)O)cc(OCc3ccc(COc4cc(OS(=O)(=O)O)cc5oc(-c6ccc(OS(=O)(=O)O)c(OS(=O)(=O)O)c6)c(OS(=O)(=O)O)c(=O)c45)cc3)c12
|
C38H26O38S8 1347.124000 |
DDUSVFYSJIYYFC-UHFFFAOYSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM50260048
|
Local ready
Direct docking supported
|
|
E3L050188
BDB050188
|
Azd-5153
COc1nnc2ccc(N3CCC(c4ccc(OCCN5CCN(C)C(=O)[C@H]5C)cc4)CC3)nn12
|
C25H33N7O3 479.585000 |
RSMYFSPOTCDHHJ-GOSISDBHSA-N | Q09472, Q92793 | Histone acetyltransferase p300, CREB-binding protein |
BindingDB, PubChem
BindingDB:BDBM50260093; PubChem:CID118693659
|
Local ready
Direct docking supported
|
|
E3L050189
BDB050189
|
BDBM50260175
O=C(NCCN1CCC(Cc2ccccc2)CC1)c1cc2[nH]c(=O)c3ccccc3c2s1
|
C26H27N3O2S 445.588000 |
TWHIDIFDFYLCNE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50260175; PubChem:CID137644168
|
Local ready
Direct docking supported
|
|
E3L050190
BDB050190
|
Saurufuran A
C/C(=C/CC/C(C)=C/CC/C(C)=C/Cc1occc1C)C(=O)O
|
C20H28O3 316.441000 |
BMGJSWCTAGIXJL-SBFKIVPVSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50260283; PubChem:CID643734
|
Local ready
Direct docking supported
|
|
E3L050191
BDB050191
|
Saurufuran B
C/C(=C\CC/C(C)=C/Cc1occc1C)CC/C=C(\C)C(=O)O
|
C20H28O3 316.441000 |
BMGJSWCTAGIXJL-NIAATNHFSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50260284; PubChem:CID11723307
|
Local ready
Direct docking supported
|
|
E3L050192
BDB050192
|
4-phenyl-1H-1,2,3-triazole
c1ccc(-c2cnn[nH]2)cc1
|
C8H7N3 145.165000 |
LUEYUHCBBXWTQT-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50260368; PubChem:CID137153
|
Local ready
Direct docking supported
|
|
E3L050193
BDB050193
|
BDBM50260527
O=[N+]([O-])c1c(NCCCO)cc(Nc2ccc(F)cc2)c2nonc12
|
C15H14FN5O4 347.306000 |
FHHZOEZSHUCDJI-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50260527; PubChem:CID4208752
|
Local ready
Direct docking supported
|
|
E3L050194
BDB050194
|
BDBM50260528
O=c1[nH]c2ccc(Nc3ccc([N+](=O)[O-])cc3Cl)cc2[nH]1
|
C13H9ClN4O3 304.693000 |
LBXJVISQYZQJLT-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50260528; PubChem:CID29106455
|
Local ready
Direct docking supported
|
|
E3L050195
BDB050195
|
BDBM50260529
CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C(C)C
|
C83H121N21O20S 1765.075000 |
LVYIYYGXSDQMMQ-HMIZNXJWSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM50260529; PubChem:CID137650966
|
Local ready
Direct docking supported
|
|
E3L050196
BDB050196
|
BDBM50260534
O=C(O)CC(C(=O)O)N1C(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)SC1=S
|
C15H9BrN2O6S2 457.283000 |
QGNRETMYLHRUBB-KHPPLWFESA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB
BindingDB:BDBM50260534
|
Local ready
Direct docking supported
|
|
E3L050197
BDB050197
|
BDBM50260679
CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)OCCNS(=O)(=O)c1cccc2c(N(C)C)cccc12
|
C30H40N4O6S 584.739000 |
TUSRJRXMLKYQTI-QQNWGBJXSA-N | Q13489 | Baculoviral IAP repeat-containing protein 3 |
BindingDB, PubChem
BindingDB:BDBM50260679; PubChem:CID24857831
|
Local ready
Direct docking supported
|
|
E3L050198
BDB050198
|
BDBM50260680
CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)OCCNS(=O)(=O)c1cccc2c(N=[N+]=[N-])cccc12
|
C28H34N6O6S 582.683000 |
PHBGCQYYFQWIRN-CWDLOFLHSA-N | Q13489 | Baculoviral IAP repeat-containing protein 3 |
BindingDB, PubChem
BindingDB:BDBM50260680; PubChem:CID44576646
|
Local ready
Direct docking supported
|
|
E3L050199
BDB050199
|
BDBM50260845
COC(=O)C[C@@H]1CS[C@]2(C(=O)Nc3cccc(Br)c32)[C@H](c2ccc(Br)cc2)[C@H]1CNc1ccccc1F
|
C28H25Br2FN2O3S 648.392000 |
MQJMFSDVOCWCHK-KTEANZDZSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50260845; PubChem:CID137638351
|
Local ready
Direct docking supported
|
|
E3L050200
BDB050200
|
BDBM50260846
COC(=O)C[C@@H]1CS[C@]2(C(=O)Nc3cccc(Br)c32)[C@H](c2ccc(Br)cc2)[C@H]1CNc1cccc(F)c1
|
C28H25Br2FN2O3S 648.392000 |
XGOUQOKHGQLMRH-VVAOOJQESA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50260846; PubChem:CID137651631
|
Local ready
Direct docking supported
|