| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L056561
BDB056561
|
BDBM50446202
COc1cc(C(N)=O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(C(=O)Nc3cc(Cl)cnc32)[C@H]1c1cccc(Cl)c1F
|
C30H30Cl2FN5O4 614.505000 |
ACHCLOSSNAELCR-CMWYWCLMSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50446202
|
Local ready
Direct docking supported
|
|
E3L056562
BDB056562
|
BDBM50446203
COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(C(=O)Nc3cc(Cl)cnc32)[C@H]1c1cccc(Cl)c1F
|
C30H29Cl2FN4O5 615.489000 |
IJIGMWANDSKYOG-CMWYWCLMSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50446203
|
Local ready
Direct docking supported
|
|
E3L056563
BDB056563
|
BDBM50446204
COc1cc(C(N)=O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(C(=O)Nc3nc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F
|
C30H30Cl2FN5O4 614.505000 |
BXAYHKKPWXVTLG-MKNBMTNBSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50446204
|
Local ready
Direct docking supported
|
|
E3L056564
BDB056564
|
BDBM50446205
COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(C(=O)Nc3nc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F
|
C30H29Cl2FN4O5 615.489000 |
CNODLALQBVKLIV-MKNBMTNBSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50446205
|
Local ready
Direct docking supported
|
|
E3L056565
BDB056565
|
BDBM50446206
COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(C(=O)Nc3ncccc32)[C@H]1c1cccc(Cl)c1F
|
C30H30ClFN4O5 581.044000 |
QLORRPOWHCOBMY-CMWYWCLMSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50446206
|
Local ready
Direct docking supported
|
|
E3L056566
BDB056566
|
BDBM50446207
COc1cc(C(N)=O)ccc1NC(=O)C1NC(CC(C)(C)C)C2(C(=O)Nc3cc(Cl)ncc32)C1c1cccc(Cl)c1F
|
C30H30Cl2FN5O4 614.505000 |
CGCOPBXAGSCZNX-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50446207
|
Local ready
Direct docking supported
|
|
E3L056567
BDB056567
|
BDBM50446208
COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(C(=O)Nc3cc(Cl)ncc32)[C@H]1c1cccc(Cl)c1F
|
C30H29Cl2FN4O5 615.489000 |
HHZBIQDQELBELB-FNQJWKMRSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50446208
|
Local ready
Direct docking supported
|
|
E3L056568
BDB056568
|
BDBM50446209
COc1cc(C(N)=O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(C(=O)Nc3ccncc32)[C@H]1c1cccc(Cl)c1F
|
C30H31ClFN5O4 580.060000 |
JZJSBNKVPGNXHW-AMKZZFPWSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50446209
|
Local ready
Direct docking supported
|
|
E3L056569
BDB056569
|
BDBM50446210
COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@@]2(C(=O)Nc3ccncc32)[C@H]1c1cccc(Cl)c1F
|
C30H30ClFN4O5 581.044000 |
ITTQHYXUPNVUBV-AMKZZFPWSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50446210
|
Local ready
Direct docking supported
|
|
E3L056570
BDB056570
|
BDBM50446428
Cn1cc(-c2cc3cnc(Nc4ccc(C(=O)N5CCS(=O)(=O)CC5)cc4Cl)cc3n2C(=O)OC(C)(C)C)cn1
|
C27H29ClN6O5S 585.086000 |
PMCMCUYADWVHJI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50446428; PubChem:CID66547759
|
Local ready
Direct docking supported
|
|
E3L056571
BDB056571
|
BDBM50446429
COc1ccccc1Nc1cc2[nH]c(-c3cncn3C)cc2cn1
|
C18H17N5O 319.368000 |
FNIYWISWAVWVEG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50446429; PubChem:CID76324874
|
Local ready
Direct docking supported
|
|
E3L056572
BDB056572
|
BDBM50446430
CN(C)C1CCN(C(=O)c2ccc(Nc3cc4[nH]c(-c5cnn(C)c5)cc4cn3)c(Cl)c2)CC1
|
C25H28ClN7O 478.000000 |
BZVPRPREGRBRHR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50446430; PubChem:CID68291184
|
Local ready
Direct docking supported
|
|
E3L056573
BDB056573
|
BDBM50446431
CN(C)C(=O)c1ccc(Nc2cc3c(cn2)cc(-c2cnn(C)c2)n3C(=O)OC(C)(C)C)c(Cl)c1
|
C25H27ClN6O3 494.983000 |
KYBALIQJYSWGLI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50446431; PubChem:CID68310278
|
Local ready
Direct docking supported
|
|
E3L056574
BDB056574
|
BDBM50446432
CN(C)C1CCN(C(=O)c2ccc(Nc3cc4c(cn3)cc(-c3cnn(C)c3)n4C(=O)OC(C)(C)C)c(Cl)c2)CC1
|
C30H36ClN7O3 578.117000 |
HKIZNKMCQOQZTI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50446432; PubChem:CID66547424
|
Local ready
Direct docking supported
|
|
E3L056575
BDB056575
|
BDBM50446433
COc1ccccc1Nc1cc2[nH]c(-c3c(C)noc3C)cc2cn1
|
C19H18N4O2 334.379000 |
RYIUOAMMKCYEPW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50446433; PubChem:CID76328435
|
Local ready
Direct docking supported
|
|
E3L056576
BDB056576
|
BDBM50446434
Cn1cc(-c2ccc(Nc3cc4[nH]c(-c5cnn(C)c5)cc4cn3)c(Cl)c2)cn1
|
C21H18ClN7 403.877000 |
KOHXXTKMZDFLND-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50446434; PubChem:CID76310311
|
Local ready
Direct docking supported
|
|
E3L056577
BDB056577
|
BDBM50446435
CN(C)C(=O)c1ccc(Nc2cc3c(cn2)cc(-c2cnco2)n3C(=O)OC(C)(C)C)c(Cl)c1
|
C24H24ClN5O4 481.940000 |
VGVIWBCNXYVLQY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50446435; PubChem:CID66548104
|
Local ready
Direct docking supported
|
|
E3L056578
BDB056578
|
BDBM50446436
c1cc(OCCN2CCOCC2)ccc1Nc1cc2[nH]c(-c3cn[nH]c3)cc2cn1
|
C22H24N6O2 404.474000 |
XSLQRBBJXSFSGV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50446436; PubChem:CID68290829
|
Local ready
Direct docking supported
|
|
E3L056579
BDB056579
|
BDBM50446437
CN(C)C(=O)c1ccc(Nc2cc3[nH]c(-c4cnn(C)c4)cc3cn2)c(Cl)c1
|
C20H19ClN6O 394.866000 |
STYHVKGHURWWNT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50446437; PubChem:CID68290838
|
Local ready
Direct docking supported
|
|
E3L056580
BDB056580
|
BDBM50446438
Cn1cc(-c2cc3cnc(Nc4ccccc4Cl)cc3n2C(=O)OC(C)(C)C)cn1
|
C22H22ClN5O2 423.904000 |
UUEVHHGQYRGYSY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50446438; PubChem:CID68291366
|
Local ready
Direct docking supported
|