| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L034141
BDB034141
|
BDBM682701
CC(C)(C)[C@H]1CC[C@H](c2cc(C(=O)N3CCC(Oc4cc(N5CCNCC5)ccc4C#N)CC3)ccc2O[C@H]2CCNC2)CC1
|
C37H51N5O3 613.847000 |
QQTSKTWBOQEFNY-OBWKWBNQSA-N | P12830 | Catenin beta-1 |
BindingDB
BindingDB:BDBM682701
|
Local ready
Direct docking supported
|
|
E3L034142
BDB034142
|
CRBN modulator-1
O=C1CCC(N2C(=O)c3cccc4cc(O)cc(c34)C2=O)C(=O)N1
|
C17H12N2O5 324.292000 |
WGTKYDFLBDSIPX-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, PubChem
BindingDB:BDBM684558; PubChem:CID152258126
|
Local ready
Direct docking supported
|
|
E3L034143
BDB034143
|
BDBM684559
Nc1cc2c3c(cccc3c1)C(=O)N(C1CCC(=O)NC1=O)C2=O
|
C17H13N3O4 323.308000 |
AIQPKXWIKLCGGM-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, PubChem
BindingDB:BDBM684559; PubChem:CID44225702
|
Local ready
Direct docking supported
|
|
E3L034144
BDB034144
|
BDBM684599
COc1ncnc(C2CC2)c1-c1ncc2c(n1)N(Cc1ccc(-c3nc(C(F)(F)F)cn3C)cc1)CCO2
|
C26H24F3N7O2 523.519000 |
PUHXCPONTRUWMT-UHFFFAOYSA-N | Q8TAF3 | Ubiquitin carboxyl-terminal hydrolase 1 |
BindingDB, PubChem
BindingDB:BDBM684599; PubChem:CID165400960
|
Local ready
Direct docking supported
|
|
E3L034145
BDB034145
|
BDBM684603
COc1ncnc(C2CC2)c1-c1ncc2c(n1)N(Cc1ccc(-c3nc(C(F)(F)F)cn3C)cc1)C(=O)CO2
|
C26H22F3N7O3 537.502000 |
USDPTBXBBKGBAL-UHFFFAOYSA-N | Q8TAF3 | Ubiquitin carboxyl-terminal hydrolase 1 |
BindingDB, PubChem
BindingDB:BDBM684603; PubChem:CID165401001
|
Local ready
Direct docking supported
|
|
E3L034146
BDB034146
|
BDBM684619
COc1ncnc(C2CC2)c1-c1ncc2c(n1)N(CC1CCN(c3nc(C(F)(F)F)cn3C)CC1)CCO2
|
C25H29F3N8O2 530.555000 |
KZZCRRRAVZIVQO-UHFFFAOYSA-N | Q8TAF3 | Ubiquitin carboxyl-terminal hydrolase 1 |
BindingDB
BindingDB:BDBM684619
|
Local ready
Direct docking supported
|
|
E3L034147
BDB034147
|
BDBM684690
CCc1cc2ncc(CN3CCC(c4ccc(C(=O)NC)nc4)CC3)cc2[nH]c1=O
|
C23H27N5O2 405.502000 |
PXXRGLXAJDTKHG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM684690; PubChem:CID166021810
|
Local ready
Direct docking supported
|
|
E3L034148
BDB034148
|
BDBM684691
CCc1cc2ncc(CN3CCN(c4cnc5c(NC)nccc5c4)CC3)cc2[nH]c1=O
|
C24H27N7O 429.528000 |
RLNNRJHAIFVURX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM684691; PubChem:CID166082809
|
Local ready
Direct docking supported
|
|
E3L034149
BDB034149
|
BDBM684692
CCc1cc2ncc(CN3CCN(c4ccc5c(c4)CN(C)C5=O)CC3)cc2[nH]c1=O
|
C24H27N5O2 417.513000 |
ORYJNYIPKWJMGX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM684692; PubChem:CID168177272
|
Local ready
Direct docking supported
|
|
E3L034150
BDB034150
|
BDBM684693
CCc1cc2ncc(CN3CCN(c4ccc5c(c4)CNC5=O)CC3)cc2[nH]c1=O
|
C23H25N5O2 403.486000 |
BLDKXVGMSWXCMV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM684693; PubChem:CID170774995
|
Local ready
Direct docking supported
|
|
E3L034151
BDB034151
|
BDBM684694
CCc1cc2ncc(CN3CCN(c4cnc5[nH]ccc5c4)CC3)cc2[nH]c1=O
|
C22H24N6O 388.475000 |
ARCNYUGLXZYNOM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM684694; PubChem:CID166082746
|
Local ready
Direct docking supported
|
|
E3L034152
BDB034152
|
BDBM684695
CCc1cc2ncc(CN3CCN(c4ccc5nc(C)[nH]c5c4)CC3)cc2[nH]c1=O
|
C23H26N6O 402.502000 |
HFXWBQQHOWCFDR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM684695; PubChem:CID166082742
|
Local ready
Direct docking supported
|
|
E3L034153
BDB034153
|
BDBM684696
CCc1cc2ncc(CN3CC=C(c4ccc(C(=O)NC5CC5)nc4)CC3)cc2[nH]c1=O
|
C25H27N5O2 429.524000 |
JTVAOZIMNFKWKM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM684696; PubChem:CID168177326
|
Local ready
Direct docking supported
|
|
E3L034154
BDB034154
|
BDBM684697
CCc1cc2ncc(CN3CC=C(c4ccc(C(=O)NOC)nc4)CC3)cc2[nH]c1=O
|
C23H25N5O3 419.485000 |
ALNOGWJREZRBKP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM684697; PubChem:CID170775023
|
Local ready
Direct docking supported
|
|
E3L034155
BDB034155
|
BDBM684698
CCc1cc2ncc(CN3CC=C(c4ccc(C(=O)N[C@H]5CCOC5)nc4)CC3)cc2[nH]c1=O
|
C26H29N5O3 459.550000 |
MEUHMQJTNNDMED-NRFANRHFSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM684698; PubChem:CID170775037
|
Local ready
Direct docking supported
|
|
E3L034156
BDB034156
|
BDBM684699
CCc1cc2ncc(CN3CC=C(c4ccc(C(=O)N[C@@H]5CCOC5)nc4)CC3)cc2[nH]c1=O
|
C26H29N5O3 459.550000 |
MEUHMQJTNNDMED-OAQYLSRUSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM684699; PubChem:CID170775006
|
Local ready
Direct docking supported
|
|
E3L034157
BDB034157
|
BDBM684700
CCc1cc2ncc(CN3CC=C(c4ccc(C(=O)NC)c(F)c4)CC3)cc2[nH]c1=O
|
C24H25FN4O2 420.488000 |
MBRLUFBQIRSVSY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM684700; PubChem:CID169090891
|
Local ready
Direct docking supported
|
|
E3L034158
BDB034158
|
BDBM684701
CCc1cc2ncc(CN3CC=C(c4ccc(C(=O)NC)nc4C#N)CC3)cc2[nH]c1=O
|
C24H24N6O2 428.496000 |
OZXNDCQHKDQRBO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM684701; PubChem:CID170775017
|
Local ready
Direct docking supported
|
|
E3L034159
BDB034159
|
BDBM684704
CCc1cc2c(C#N)cc(CN3CC=C(c4ccc(C(=O)NC)nc4)CC3)cc2[nH]c1=O
|
C25H25N5O2 427.508000 |
AUTONUYHJJADRK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM684704; PubChem:CID170775024
|
Local ready
Direct docking supported
|
|
E3L034160
BDB034160
|
BDBM684706
CCc1cc2ncc(CN3CC=C(c4cnc(C(=O)NC)s4)CC3)cc2[nH]c1=O
|
C21H23N5O2S 409.515000 |
UBFZRAQLNNKKNK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM684706; PubChem:CID166082817
|
Local ready
Direct docking supported
|