| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L056361
BDB056361
|
BDBM50441826
CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccccc2N(C(=O)CS(C)(=O)=O)[C@H]1C
|
C29H33BrN4O6S 645.576000 |
QWYSUQIZLNHTSH-VFUKXHBFSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50441826
|
Local ready
Direct docking supported
|
|
E3L056362
BDB056362
|
BDBM50441827
CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3c(Br)cccc23)c2ccccc2N(C(=O)CS(C)(=O)=O)[C@H]1C
|
C29H33BrN4O6S 645.576000 |
PXWZNFSPEPDNTD-VFUKXHBFSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50441827
|
Local ready
Direct docking supported
|
|
E3L056363
BDB056363
|
BDBM50441828
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2cnccn2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
|
C30H29BrN6O4 617.504000 |
WNFDOEFATWINQC-UUOWRZLLSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50441828; PubChem:CID72711724
|
Local ready
Direct docking supported
|
|
E3L056364
BDB056364
|
BDBM50441829
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(F)cc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
|
C32H30BrFN4O4 633.518000 |
IYAXXUOLQDPMLM-SIBVEZHUSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50441829; PubChem:CID72711251
|
Local ready
Direct docking supported
|
|
E3L056365
BDB056365
|
BDBM50441830
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)Cc2cccnc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
|
C32H32BrN5O4 630.543000 |
YEFFLKUAMCNGBI-FNZWTVRRSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50441830; PubChem:CID72711722
|
Local ready
Direct docking supported
|
|
E3L056366
BDB056366
|
BDBM50441831
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C)o2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
|
C31H31BrN4O5 619.516000 |
DFEWVWLUJFZIAY-CYFREDJKSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50441831; PubChem:CID72711926
|
Local ready
Direct docking supported
|
|
E3L056367
BDB056367
|
BDBM50441832
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(S(C)(=O)=O)cc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
|
C33H33BrN4O6S 693.620000 |
ODNRMXZHMWXBTG-DCFHFQCYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50441832; PubChem:CID72711481
|
Local ready
Direct docking supported
|
|
E3L056368
BDB056368
|
BDBM50441833
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C)cc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
|
C33H33BrN4O4 629.555000 |
KTHDFFITHWGQIL-IDISGSTGSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50441833; PubChem:CID72711479
|
Local ready
Direct docking supported
|
|
E3L056369
BDB056369
|
BDBM50441834
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccccc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
|
C32H31BrN4O4 615.528000 |
VEPLHDWLOOVFAN-FNZWTVRRSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50441834; PubChem:CID72711249
|
Local ready
Direct docking supported
|
|
E3L056370
BDB056370
|
BDBM50442526
O=C(CSc1nc2sc3c(c2c(=O)[nH]1)CCC3)N(CCO)CCO
|
C15H19N3O4S2 369.468000 |
ZJFAWHHRLUODQT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50442526; PubChem:CID1577619
|
Local ready
Direct docking supported
|
|
E3L056371
BDB056371
|
BDBM50442527
O=C1N[C@@H]2N(Cc3ccccc3C23CCOCC3)c2ccccc21
|
C20H20N2O2 320.392000 |
QTQPAYUBEVRWNK-LJQANCHMSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50442527; PubChem:CID1556947
|
Local ready
Direct docking supported
|
|
E3L056372
BDB056372
|
BDBM50442528
N#Cc1c(-c2ccccc2)cn2c1[nH]c(=O)c1ccccc12
|
C18H11N3O 285.306000 |
DBKOTQQQUHAZOB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50442528; PubChem:CID354460
|
Local ready
Direct docking supported
|
|
E3L056373
BDB056373
|
BDBM50442529
Cc1sc2nc(SCC(=O)N3CCN(CCO)CC3)[nH]c(=O)c2c1C
|
C16H22N4O3S2 382.511000 |
FPIMAZZKTLCEPA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50442529; PubChem:CID1157122
|
Local ready
Direct docking supported
|
|
E3L056374
BDB056374
|
BDBM50442530
O=C1N[C@H]2Cc3ccccc3CN2c2ccccc21
|
C16H14N2O 250.301000 |
DVRUWQOQMFRZES-OAHLLOKOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50442530; PubChem:CID687511
|
Local ready
Direct docking supported
|
|
E3L056375
BDB056375
|
BDBM50442757
CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(C(=O)NC3CCN(C4CCC5(CC4)OCCO5)CC3)no2)cc1
|
C31H38N4O7 578.666000 |
DPZWKZQIGWCTDT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50442757; PubChem:CID136254389
|
Local ready
Direct docking supported
|
|
E3L056376
BDB056376
|
BDBM50442758
CC(C)Nc1ccc(Oc2cc(O)cc(O)c2-c2cc(C(=O)NC3CCN(C)CC3)no2)cc1
|
C25H30N4O5 466.538000 |
PFINYWQVHGQFKS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50442758; PubChem:CID136219394
|
Local ready
Direct docking supported
|
|
E3L056377
BDB056377
|
BDBM50442759
CN1CCC(NC(=O)c2cc(-c3c(O)cc(O)cc3Oc3ccc(N(C)C)cc3)on2)CC1
|
C24H28N4O5 452.511000 |
VUOFPKJWKCCHBI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50442759; PubChem:CID136013680
|
Local ready
Direct docking supported
|
|
E3L056378
BDB056378
|
Nms-E973
CN1CCC(NC(=O)c2cc(-c3c(O)cc(O)cc3Oc3ccc([N+](=O)[O-])cc3)on2)CC1
|
C22H22N4O7 454.439000 |
YLQODGGPIHWTHR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50442760; PubChem:CID135566652
|
Local ready
Direct docking supported
|
|
E3L056379
BDB056379
|
BDBM50442778
O=c1nc2n(Cc3ccccc3)c3c(C(F)(F)F)cccc3cc-2c(=O)[nH]1
|
C19H12F3N3O2 371.318000 |
KJINGTBKIBXJOF-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50442778; PubChem:CID72697719
|
Local ready
Direct docking supported
|
|
E3L056380
BDB056380
|
BDBM50442779
Cc1ccc(-n2c3nc(=O)[nH]c(=O)c-3cc3cccc(C(F)(F)F)c32)cc1
|
C19H12F3N3O2 371.318000 |
QDTZUKDTZXNOEL-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50442779; PubChem:CID73357201
|
Local ready
Direct docking supported
|