| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L063401
BDB063401
|
BDBM50617217
CC[C@H](C)[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)Cn2cc(nn2)CC(C(N)=O)NC(=O)[C@@H](Cc2ccsc2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)C[C@@H](C(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC1=O
|
C47H63ClN12O13S2 1103.679000 |
SZQXENQHQCOWJE-NKDIEPNFSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50617217
|
Local ready
Direct docking supported
|
|
E3L063402
BDB063402
|
BDBM50617218
CC(C)[C@@H]1NC(=O)Cn2cc(nn2)CC(C(N)=O)NC(=O)[C@@H]2C[C@@H](CN2C(=O)c2ccccc2)NC(=O)[C@H](Cc2cccc(C(F)(F)F)c2)NC(=O)[C@@H](C(C)C)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O
|
C62H71F3N14O10 1229.332000 |
ZAPBZKBLKRCOOA-NOXCEVAXSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50617218
|
Local ready
Direct docking supported
|
|
E3L063403
BDB063403
|
BDBM50617302
CN(c1ncccc1CNc1ccnc(-c2nc3c(F)c(Cl)ccc3[nH]2)n1)S(C)(=O)=O
|
C19H17ClFN7O2S 461.910000 |
WBFJDKLBAAHKIL-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50617302; PubChem:CID162368309
|
Local ready
Direct docking supported
|
|
E3L063404
BDB063404
|
BDBM50617417
CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCN(CC(=O)NCCSSCCN(CC(=O)NCCNc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)C(=O)CCCCCCC(=O)N5CCC(c6cc(OC(C)C)c(Nc7ncc(Cl)c(Nc8ccccc8S(=O)(=O)C(C)C)n7)cc6C)CC5)CC4)cn3)nc2n(C2CCCC2)c1=O
|
C83H103ClN18O13S3 1692.504000 |
FAZQIBUGAPAWBW-UHFFFAOYSA-N | Q9HC35 | Echinoderm microtubule-associated protein-like 4 |
BindingDB
BindingDB:BDBM50617417
|
Local ready
Direct docking supported
|
|
E3L063405
BDB063405
|
BDBM50618050
Cc1c2ccc(N(C)c3ccnc(Nc4ccc(C(=O)Nc5nc6c(C(N)=O)cccc6[nH]5)cc4)n3)cc2nn1C
|
C29H26N10O2 546.595000 |
SJLSKGISTQLWPO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50618050; PubChem:CID172458267
|
Local ready
Direct docking supported
|
|
E3L063406
BDB063406
|
BDBM50618051
CN(c1ccc(Cl)cc1)c1ccnc(Nc2ccc(C(=O)Nc3nc4c(C(N)=O)cccc4[nH]3)cc2)n1
|
C26H21ClN8O2 512.961000 |
JKAXXNVLUPIPLQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50618051; PubChem:CID172457381
|
Local ready
Direct docking supported
|
|
E3L063407
BDB063407
|
BDBM50618052
NC(=O)c1cccc2[nH]c(NC(=O)c3ccc(Nc4nccc(N5CCN(C(=O)c6ccccc6)CC5)n4)cc3)nc12
|
C30H27N9O3 561.606000 |
NKXXNFCDLROXMP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50618052; PubChem:CID172466433
|
Local ready
Direct docking supported
|
|
E3L063408
BDB063408
|
BDBM50618053
Cc1c2ccc(N(C)c3ccnc(Nc4ccc(-c5nc6c(C(N)=O)cccc6[nH]5)cc4)n3)cc2nn1C
|
C28H25N9O 503.570000 |
FELISMCMXIVCLT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50618053; PubChem:CID172455304
|
Local ready
Direct docking supported
|
|
E3L063409
BDB063409
|
BDBM50618054
CN(c1ccc(Cl)cc1)c1ccnc(Nc2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)n1
|
C25H20ClN7O 469.936000 |
AUGRKZAFBVCEBZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50618054; PubChem:CID172468609
|
Local ready
Direct docking supported
|
|
E3L063410
BDB063410
|
BDBM50618055
NC(=O)c1cccc2[nH]c(-c3ccc(Nc4nccc(N5CCN(C(=O)c6ccccc6)CC5)n4)cc3)nc12
|
C29H26N8O2 518.581000 |
NTRRZNOFZCFGGT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50618055; PubChem:CID172445150
|
Local ready
Direct docking supported
|
|
E3L063411
BDB063411
|
BDBM50618056
NC(=O)c1cccc2[nH]c(-c3ccc(Nc4nccc(N5CCN(c6ccc(C(F)(F)F)cn6)CC5)n4)cc3)nc12
|
C28H24F3N9O 559.556000 |
YHYYNALXUDCTQJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50618056; PubChem:CID172462660
|
Local ready
Direct docking supported
|
|
E3L063412
BDB063412
|
BDBM50618057
CS(=O)(=O)N1CCN(c2ccnc(Nc3ccc(-c4nc5c(C(N)=O)cccc5[nH]4)cc3)n2)CC1
|
C23H24N8O3S 492.565000 |
LAXLMJUUHGVERG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50618057; PubChem:CID172465648
|
Local ready
Direct docking supported
|
|
E3L063413
BDB063413
|
BDBM50618058
CN1CCN(C2CCN(c3ccnc(Nc4ccc(-c5nc6c(C(N)=O)cccc6[nH]5)cc4)n3)CC2)CC1
|
C28H33N9O 511.634000 |
YMIMXEXRUAEOTG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50618058; PubChem:CID172463074
|
Local ready
Direct docking supported
|
|
E3L063414
BDB063414
|
BDBM50618059
CN(c1ccc(F)cc1)c1ccnc(Nc2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)n1
|
C25H20FN7O 453.481000 |
TXGCGRBDHSCBPA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50618059; PubChem:CID172453618
|
Local ready
Direct docking supported
|
|
E3L063415
BDB063415
|
BDBM50618060
CC(C)c1ccc(N(C)c2ccnc(Nc3ccc(-c4nc5c(C(N)=O)cccc5[nH]4)cc3)n2)cc1
|
C28H27N7O 477.572000 |
IILPHHOODKHQOG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50618060; PubChem:CID172465341
|
Local ready
Direct docking supported
|
|
E3L063416
BDB063416
|
BDBM50618061
CN(c1ccc(S(C)(=O)=O)cc1)c1ccnc(Nc2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)n1
|
C26H23N7O3S 513.583000 |
BKDVZYYKBQYIKS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50618061; PubChem:CID172459819
|
Local ready
Direct docking supported
|
|
E3L063417
BDB063417
|
BDBM50618062
CN(c1ccc(N2CCOCC2)cc1)c1ccnc(Nc2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)n1
|
C29H28N8O2 520.597000 |
CTXLMOFHIYLQNN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50618062; PubChem:CID172464003
|
Local ready
Direct docking supported
|
|
E3L063418
BDB063418
|
BDBM50618063
CN(c1ccc(NC(=O)OC(C)(C)C)cc1)c1ccnc(Nc2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)n1
|
C30H30N8O3 550.623000 |
MSTOXQSLZBMLJE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50618063; PubChem:CID172442009
|
Local ready
Direct docking supported
|
|
E3L063419
BDB063419
|
BDBM50618064
CN(c1ccc2ncccc2c1)c1ccnc(Nc2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)n1
|
C28H22N8O 486.539000 |
JKXYPJZBOPXUBC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50618064; PubChem:CID172462388
|
Local ready
Direct docking supported
|
|
E3L063420
BDB063420
|
BDBM50618065
CN(c1ccnc(Nc2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)n1)c1cc(C(C)(C)C)n(C)n1
|
C27H29N9O 495.591000 |
PQGNKFPVNFDEDY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50618065; PubChem:CID172445853
|
Local ready
Direct docking supported
|