| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L055361
BDB055361
|
BDBM50409628
CC(C)(O)c1ccc(-c2cn3c(F)ccc3c(=O)[nH]2)cc1
|
C16H15FN2O2 286.306000 |
VTBFTBOYJMHXBF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50409628; PubChem:CID71765181
|
Local ready
Direct docking supported
|
|
E3L055362
BDB055362
|
BDBM50409629
CC(C)(O)c1ccc(-c2cn3cc(F)cc3c(=O)[nH]2)cc1
|
C16H15FN2O2 286.306000 |
BPRGXQTYABGOBA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50409629; PubChem:CID71765087
|
Local ready
Direct docking supported
|
|
E3L055363
BDB055363
|
BDBM50409630
CC(C)(O)c1ccc(-c2cn3cc(Cl)cc3c(=O)[nH]2)cc1
|
C16H15ClN2O2 302.761000 |
OAXRVCSFISVGCI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50409630; PubChem:CID71765088
|
Local ready
Direct docking supported
|
|
E3L055364
BDB055364
|
BDBM50409631
CC(C)(O)c1ccc(-c2cn3cccc3c(=O)[nH]2)cc1
|
C16H16N2O2 268.316000 |
WADUGMWGTNMWRD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50409631; PubChem:CID71765501
|
Local ready
Direct docking supported
|
|
E3L055365
BDB055365
|
BDBM50409632
Cc1csc2c(=O)[nH]c(-c3ccc(C(C)(C)O)cc3)nc12
|
C16H16N2O2S 300.383000 |
ZJHLKLRWORVGKO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50409632; PubChem:CID171358594
|
Local ready
Direct docking supported
|
|
E3L055366
BDB055366
|
BDBM50409634
Cc1ccc2c(=O)[nH]c(-c3ccc(C(C)(C)O)cc3)nn12
|
C16H17N3O2 283.331000 |
JDZQHCQYJAHSCQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50409634; PubChem:CID136262694
|
Local ready
Direct docking supported
|
|
E3L055367
BDB055367
|
BDBM50409635
Cc1cc2c(=O)[nH]c(-c3ccc(C(C)(C)O)cc3)cn2n1
|
C16H17N3O2 283.331000 |
HJVQHFYHONMFDN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50409635; PubChem:CID71765581
|
Local ready
Direct docking supported
|
|
E3L055368
BDB055368
|
BDBM50409636
Cc1ncc2c(=O)[nH]c(-c3ccc(C(C)(C)O)cc3)cn12
|
C16H17N3O2 283.331000 |
ZGHNBPCNVXEKGL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50409636; PubChem:CID118197430
|
Local ready
Direct docking supported
|
|
E3L055369
BDB055369
|
BDBM50409637
Cc1ncc2c(=O)[nH]c(-c3ccc(C(C)(C)C)cc3)cn12
|
C17H19N3O 281.359000 |
NLGGKDGPDAYIFS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50409637; PubChem:CID118197440
|
Local ready
Direct docking supported
|
|
E3L055370
BDB055370
|
BDBM50410555
C=C(C)CC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)OC
|
C35H60N9O6+ 702.922000 |
CUERGQICWDVIQF-CISYKLKFSA-O | O75530 | Polycomb protein EED |
BindingDB
BindingDB:BDBM50410555
|
Local ready
Direct docking supported
|
|
E3L055371
BDB055371
|
H-DL-Pro-Ser-Lys(Me3)-Phe-Leu-NH2
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@H](CO)NC(=O)C1CCCN1)C(N)=O
|
C32H54N7O6+ 632.827000 |
ZZEFIZCWHLCWRV-CGRGJDSMSA-O | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50410558; PubChem:CID171351495
|
Local ready
Direct docking supported
|
|
E3L055372
BDB055372
|
BDBM50410559
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN(C)C(C)C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1)C(=O)O
|
C34H55N5O5 613.844000 |
GMLAUNMVUXSOGB-WPMUBMLPSA-N | O75530 | Polycomb protein EED |
BindingDB
BindingDB:BDBM50410559
|
Local ready
Direct docking supported
|
|
E3L055373
BDB055373
|
BDBM50410560
N#Cc1c2c(c3cccn3c1NCc1ccco1)CN(Cc1ccccc1)CC2
|
C24H22N4O 382.467000 |
UNQGINDEMSQFID-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50410560; PubChem:CID171348898
|
Local ready
Direct docking supported
|
|
E3L055374
BDB055374
|
BDBM50410561
Cc1cc(C)n(-c2cc(N3CCc4ccccc4C3)ccc2[N+](=O)[O-])n1
|
C20H20N4O2 348.406000 |
PNNJMGGZMFGNDB-UHFFFAOYSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50410561; PubChem:CID2905908
|
Local ready
Direct docking supported
|
|
E3L055375
BDB055375
|
BDBM50410562
[H]/N=c1/c(C#N)c(-c2ccc(OC(C)C)c(OC)c2)cc2n1CCc1cc3c(cc1-2)OCO3
|
C25H23N3O4 429.476000 |
LVLOUZWLCDLTGX-RFBIWTDZSA-N | O75530 | Polycomb protein EED |
BindingDB
BindingDB:BDBM50410562
|
Local ready
Direct docking supported
|
|
E3L055376
BDB055376
|
BDBM50410563
[2H]C([2H])(Nc1ncc(-c2cccnc2C)c(=O)n1C)c1cc(F)cc2c1CCO2
|
C20H19FN4O2 368.408204 |
OGOUVLSDYPCCGO-KBMKNGFXSA-N | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50410563; PubChem:CID171342062
|
Local ready
Direct docking supported
|
|
E3L055377
BDB055377
|
H-Leu-Gln-Ala-Gln-Arg-Lys(Me3)-Phe-Ala-Gln-Ser-Gln-OH
CC(C)C[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)O
|
C59H100N19O17+ 1347.565000 |
WZALKJCUBKNXDN-BMCXZODDSA-O | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50410565; PubChem:CID171346232
|
Local ready
Direct docking supported
|
|
E3L055378
BDB055378
|
H-Thr-Lys-Ala-Ala-Arg-Lys(Me3)-Ser-Ala-Pro-Ala-Thr-OH
C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCC[N+](C)(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)O)[C@@H](C)O
|
C49H91N16O15+ 1144.364000 |
XHKDRHQMSGQEMN-XNPDXUETSA-O | O75530 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50410566; PubChem:CID171350711
|
Local ready
Direct docking supported
|
|
E3L055379
BDB055379
|
BDBM50411562
CC(=O)c1sc2[nH]c(=O)c(C(=O)O)cc2c1N
|
C10H8N2O4S 252.251000 |
AZYLIYIBARHEQY-UHFFFAOYSA-N | P09936 | Ubiquitin carboxyl-terminal hydrolase isozyme L1 |
BindingDB, PubChem
BindingDB:BDBM50411562; PubChem:CID44440983
|
Local ready
Direct docking supported
|
|
E3L055380
BDB055380
|
BDBM50411563
Nc1c(C(=O)c2ccc3ccccc3c2)sc2[nH]c(=O)c(C(=O)O)cc12
|
C19H12N2O4S 364.382000 |
ZHQLYCPPOFPAHS-UHFFFAOYSA-N | P09936 | Ubiquitin carboxyl-terminal hydrolase isozyme L1 |
BindingDB, PubChem
BindingDB:BDBM50411563; PubChem:CID23628286
|
Local ready
Direct docking supported
|