| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L007461
BDB007461
|
BDBM170395
CN1CCC(NC(=O)[C@@H]2N[C@H](CC(C)(C)C)[C@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2F)CC1
|
C29H35Cl2FN4O2 561.529000 |
QXMKRYIVLYFHPN-BGLPIVGWSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM170395; PubChem:CID52937949
|
Local ready
Direct docking supported
|
|
E3L007462
BDB007462
|
BDBM170396
CN1CCC(CNC(=O)[C@@H]2N[C@H](CC(C)(C)C)[C@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2F)CC1
|
C30H37Cl2FN4O2 575.556000 |
UXVGENTYNSJSOX-HVHHDALESA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM170396
|
Local ready
Direct docking supported
|
|
E3L007463
BDB007463
|
BDBM170398
CC(C)(C)C[C@H]1N[C@@H](C(=O)N[C@H]2CC[C@@H](N)C2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12
|
C28H33Cl2FN4O2 547.502000 |
HQXPDPHYOWFJIB-LGRXXBSZSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM170398
|
Local ready
Direct docking supported
|
|
E3L007464
BDB007464
|
BDBM170399
CC(C)(C)C[C@H]1N[C@@H](C(=O)NC2CCN(CCC(F)(F)F)CC2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12
|
C31H36Cl2F4N4O2 643.553000 |
NRNAHPIUCOHTJT-IUXWYWOJSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM170399
|
Local ready
Direct docking supported
|
|
E3L007465
BDB007465
|
BDBM170400
CN1CC[C@@H](NC(=O)[C@@H]2N[C@H](CC(C)(C)C)[C@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2F)[C@@H](F)C1
|
C29H34Cl2F2N4O2 579.519000 |
FNPAWPXECREYQA-HYHVHEOASA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM170400
|
Local ready
Direct docking supported
|
|
E3L007466
BDB007466
|
BDBM170401
CC(C)(C)C[C@H]1N[C@@H](C(=O)N[C@@H]2CCN(CCF)C[C@@H]2F)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12
|
C30H35Cl2F3N4O2 611.536000 |
UUORNGBCVZGLIB-ZXHRZLIWSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM170401
|
Local ready
Direct docking supported
|
|
E3L007467
BDB007467
|
BDBM170404
CC(C)(C)C[C@H]1N[C@@H](C(=O)NC2CN(CC(F)F)C2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)ccc12
|
C28H31Cl2F3N4O2 583.482000 |
JLEYVVUUBNDJRZ-IAZDFEAMSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM170404
|
Local ready
Direct docking supported
|
|
E3L007468
BDB007468
|
BDBM171821
O=c1c(-c2cccnc2)c[nH]n1-c1ccccn1
|
C13H10N4O 238.250000 |
ZAHLNBNEUSTJDY-UHFFFAOYSA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM171821; PubChem:CID59186947
|
Local ready
Direct docking supported
|
|
E3L007469
BDB007469
|
BDBM171822
O=c1c(-c2cccnc2)c[nH]n1-c1ccc(CO)cn1
|
C14H12N4O2 268.276000 |
LADVMLZJFNXBAO-UHFFFAOYSA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM171822; PubChem:CID59186965
|
Local ready
Direct docking supported
|
|
E3L007470
BDB007470
|
BDBM171823
Cc1ncccc1-c1c[nH]n(-c2ccccn2)c1=O
|
C14H12N4O 252.277000 |
MFHPFKHGHQQNFQ-UHFFFAOYSA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM171823; PubChem:CID59186952
|
Local ready
Direct docking supported
|
|
E3L007471
BDB007471
|
BDBM171824
Cc1ccnc(-n2[nH]cc(-c3ccc(C#N)nc3)c2=O)c1
|
C15H11N5O 277.287000 |
YXBXEIIRBJVTBQ-UHFFFAOYSA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM171824; PubChem:CID11947808
|
Local ready
Direct docking supported
|
|
E3L007472
BDB007472
|
BDBM171825
NCc1ccnc(-n2[nH]cc(-c3cccnc3)c2=O)c1
|
C14H13N5O 267.292000 |
ICCGIBTWBHPFQU-UHFFFAOYSA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM171825; PubChem:CID59186942
|
Local ready
Direct docking supported
|
|
E3L007473
BDB007473
|
BDBM171826
O=c1c(-c2cccnc2)c[nH]n1-c1cc(CO)ccn1
|
C14H12N4O2 268.276000 |
DVVILILDYXVNKH-UHFFFAOYSA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM171826; PubChem:CID59186936
|
Local ready
Direct docking supported
|
|
E3L007474
BDB007474
|
BDBM171827
O=C(Cc1ccccc1)NCc1ccnc(-n2[nH]cc(-c3cccnc3)c2=O)c1
|
C22H19N5O2 385.427000 |
YSIOFIYWFXTLFW-UHFFFAOYSA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM171827; PubChem:CID59186986
|
Local ready
Direct docking supported
|
|
E3L007475
BDB007475
|
BDBM171828
CC(=O)NCc1ccnc(-n2[nH]cc(-c3cccnc3)c2=O)c1
|
C16H15N5O2 309.329000 |
QBOIPJIJRFKSFL-UHFFFAOYSA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM171828; PubChem:CID59186933
|
Local ready
Direct docking supported
|
|
E3L007476
BDB007476
|
BDBM171829
O=C(NCc1ccnc(-n2[nH]cc(-c3cccnc3)c2=O)c1)c1ccccc1
|
C21H17N5O2 371.400000 |
LXJDQCAKLRQFTC-UHFFFAOYSA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM171829; PubChem:CID59186984
|
Local ready
Direct docking supported
|
|
E3L007477
BDB007477
|
BDBM171830
O=C(CCn1cc(Cl)cn1)NCc1ccnc(-n2[nH]cc(-c3cccnc3)c2=O)c1
|
C20H18ClN7O2 423.864000 |
DMTRRNGKQDUYPV-UHFFFAOYSA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM171830; PubChem:CID59186972
|
Local ready
Direct docking supported
|
|
E3L007478
BDB007478
|
Tazemetostat
CCN(c1cc(-c2ccc(CN3CCOCC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
|
C34H44N4O4 572.750000 |
NSQSAUGJQHDYNO-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM172038; PubChem:CID66558664
|
Local ready
Direct docking supported
|
|
E3L007479
BDB007479
|
Plx-5622
COc1ncc(F)cc1CNc1ccc(Cc2c[nH]c3ncc(C)cc23)c(F)n1
|
C21H19F2N5O 395.413000 |
NSMOZFXKTHCPTQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM174948; PubChem:CID52936034
|
Local ready
Direct docking supported
|
|
E3L007480
BDB007480
|
BDBM176815
O=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(-c2ccccn2)c1
|
C24H25N3O2 387.483000 |
IQOXVADYZAROMQ-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM176815; PubChem:CID76902883
|
Local ready
Direct docking supported
|