| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L013241
BDB013241
|
US9580437, Example 241
Fc1ccc2c(c1CNc1ncc(-n3cncn3)c3nncn13)CCO2
|
C16H13FN8O 352.333000 |
DGZUHZNLUIAYRM-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291926; PubChem:CID121432924
|
Local ready
Direct docking supported
|
|
E3L013242
BDB013242
|
US9580437, Example 242
Cc1ncccc1-c1cnc(NCc2c(F)ccc3c2C(O)CO3)n2cnnc12
|
C20H17FN6O2 392.394000 |
PHHIHVIOVGUMSY-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291927; PubChem:CID121433108
|
Local ready
Direct docking supported
|
|
E3L013243
BDB013243
|
US9580437, Example 243
OCc1ncccc1-c1cnc(NCc2c(F)ccc3c2C(O)CO3)n2cnnc12
|
C20H17FN6O3 408.393000 |
BDGYMZHPAPDHFB-UHFFFAOYSA-N | O75530 | Histone-lysine N-methyltransferase EZH2, Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM291928; PubChem:CID121433002
|
Local ready
Direct docking supported
|
|
E3L013244
BDB013244
|
BDBM291929 | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB
BindingDB:BDBM291929
|
Needs structure
Structure source missing
|
||
|
E3L013245
BDB013245
|
US9580437, Example 245
Cc1ncc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)n1C
|
C19H18FN7O 379.399000 |
BPVVBXTWDZKTIU-UHFFFAOYSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM291930; PubChem:CID121433032
|
Local ready
Direct docking supported
|
|
E3L013246
BDB013246
|
Cirtuvivint
CN1CCN(c2cc(C(=O)Nc3cc4cc(-c5cnn(C)c5)ccc4cn3)ccn2)CC1
|
C24H25N7O 427.512000 |
BQWWOBKMDWACGC-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM293424; PubChem:CID132056570
|
Local ready
Direct docking supported
|
|
E3L013247
BDB013247
|
QC6352
CN(c1ccccc1)c1ccc2c(c1)CCC[C@H]2CNc1cnccc1C(=O)O
|
C24H25N3O2 387.483000 |
XSMABFRQESMONQ-SFHVURJKSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM293660; PubChem:CID118598059
|
Local ready
Direct docking supported
|
|
E3L013248
BDB013248
|
BDBM293920
O=c1[nH]nc2c3c(cccc13)N=C1CNCCN12
|
C12H11N5O 241.254000 |
MDCGHJKIHMHTTA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM293920; PubChem:CID134405426
|
Local ready
Direct docking supported
|
|
E3L013249
BDB013249
|
BDBM293921
CCN1CCN2C(=Nc3cccc4c(=O)[nH]nc2c34)C1
|
C14H15N5O 269.308000 |
BOBFZLVWJCESKN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM293921; PubChem:CID134405431
|
Local ready
Direct docking supported
|
|
E3L013250
BDB013250
|
BDBM293922
CN1CCN2C(=Nc3cccc4c(=O)[nH]nc2c34)C1
|
C13H13N5O 255.281000 |
DUZYWRWFLZQBRP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM293922; PubChem:CID134405429
|
Local ready
Direct docking supported
|
|
E3L013251
BDB013251
|
BDBM293923
CC(C)N1CCN2C(=Nc3cccc4c(=O)[nH]nc2c34)C1
|
C15H17N5O 283.335000 |
ROJPYQCGBRMTFW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM293923; PubChem:CID134405432
|
Local ready
Direct docking supported
|
|
E3L013252
BDB013252
|
BDBM293924
O=c1[nH]nc2c3c(cccc13)N=C1CN(Cc3ccccc3)CCN12
|
C19H17N5O 331.379000 |
YCYBDAIMDDNGBM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM293924; PubChem:CID134405433
|
Local ready
Direct docking supported
|
|
E3L013253
BDB013253
|
BDBM293925
C=C(C)CCN1CCN2C(=Nc3cccc4c(=O)[nH]nc2c34)C1
|
C17H19N5O 309.373000 |
VUZVSXKVIPVGLB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM293925; PubChem:CID134405430
|
Local ready
Direct docking supported
|
|
E3L013254
BDB013254
|
BDBM297741
OC(COc1cccc(CNC2CCCC2)c1)CN1Cc2ccccc2C1
|
C23H30N2O2 366.505000 |
XAKRWZAZKPLRIX-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM297741; PubChem:CID76902416
|
Local ready
Direct docking supported
|
|
E3L013255
BDB013255
|
US10125100, Example 2
COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCOCC1
|
C42H49N7O8S 811.962000 |
BPROBXOFSXWRJR-UHFFFAOYSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM298375; PubChem:CID121255251
|
Local ready
Direct docking supported
|
|
E3L013256
BDB013256
|
BDBM298379
COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)cc(C(N)=O)c4OC)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCOCC1
|
C42H47N7O7 761.880000 |
OWFCLENUNKNIMY-UHFFFAOYSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM298379; PubChem:CID121255225
|
Local ready
Direct docking supported
|
|
E3L013257
BDB013257
|
BDBM298380
COCCOCCOCCNC(=O)c1ccc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)c4ccccc34)ccn2)cc1OC
|
C43H52N6O10S 844.988000 |
KDSZOXKIGJOWQA-UHFFFAOYSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM298380
|
Local ready
Direct docking supported
|
|
E3L013258
BDB013258
|
BDBM298381
COCCOCCOCCNC(=O)c1ccc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)cc(C(N)=O)c4OC)c4ccccc34)ccn2)cc1OC
|
C43H50N6O9 794.906000 |
RPKMWNOMQDRWNX-UHFFFAOYSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM298381
|
Local ready
Direct docking supported
|
|
E3L013259
BDB013259
|
BDBM298382
COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)c4ccccc34)ccn2)ccc1C(=O)NCCN1CC[S+]([O-])CC1
|
C42H49N7O8S2 844.029000 |
CPVAUCCEUDAMED-UHFFFAOYSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM298382
|
Local ready
Direct docking supported
|
|
E3L013260
BDB013260
|
US10125100, Example 8
COCCOCCOCCOc1ccc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)c4ccccc34)ccn2)cc1C#N
|
C42H48N6O9S 812.946000 |
WGFQWNGYIXQPPT-UHFFFAOYSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM298383; PubChem:CID121255356
|
Local ready
Direct docking supported
|